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13037-86-0 | Phenol, 4-(heptyloxy)-
CAS No: 13037-86-0 Catalog No: AG000UCL MDL No:MFCD00002338
Product Description
Catalog Number:
AG000UCL
Chemical Name:
Phenol, 4-(heptyloxy)-
CAS Number:
13037-86-0
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
MDL Number:
MFCD00002338
IUPAC Name:
4-heptoxyphenol
InChI:
InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3
InChI Key:
HZBABTUFXQLADL-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)O
UNII:
W9GSE02182
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein. | Toxicological sciences : an official journal of the Society of Toxicology 20150201 |
| The expression of Steroidogenic Factor-1 and its role in bovine steroidogenic ovarian cells during the estrus cycle and first trimester of pregnancy. | Animal reproduction science 20130401 |
| Relative embryotoxic potency of p-substituted phenols in the embryonic stem cell test (EST) and comparison to their toxic potency in vivo and in the whole embryo culture (WEC) assay. | Toxicology letters 20120903 |
| Small molecule agonists of the orphan nuclear receptors steroidogenic factor-1 (SF-1, NR5A1) and liver receptor homologue-1 (LRH-1, NR5A2). | Journal of medicinal chemistry 20110414 |
| Various aspects of piscine toxicology. | Interdisciplinary toxicology 20100901 |
| Inhibition of adrenocortical carcinoma cell proliferation by steroidogenic factor-1 inverse agonists. | The Journal of clinical endocrinology and metabolism 20090601 |
| Potent, selective and cell penetrant inhibitors of SF-1 by functional ultra-high-throughput screening. | Molecular pharmacology 20080601 |
| Identification of the first synthetic steroidogenic factor 1 inverse agonists: pharmacological modulation of steroidogenic enzymes. | Molecular pharmacology 20080301 |
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | Journal of molecular graphics & modelling 20061101 |
| Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. | Journal of medicinal chemistry 20050908 |
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