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119189-32-1 | 1,2-Benzenediol, 4-(4-phenylbutyl)-
CAS No: 119189-32-1 Catalog No: AG000P64 MDL No:
Product Description
Catalog Number:
AG000P64
Chemical Name:
1,2-Benzenediol, 4-(4-phenylbutyl)-
CAS Number:
119189-32-1
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
4-(4-phenylbutyl)benzene-1,2-diol
InChI:
InChI=1S/C16H18O2/c17-15-11-10-14(12-16(15)18)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12,17-18H,4-5,8-9H2
InChI Key:
PEMMCHVJDAVCMU-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1O)CCCCc1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Inhibition of IGF-1R and lipoxygenase by nordihydroguaiaretic acid (NDGA) analogs. | Bioorganic & medicinal chemistry letters 20070715 |
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