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20601-85-8 | [1,1'-Biphenyl]-2,2'-diol, 5,5'-dipropyl-
CAS No: 20601-85-8 Catalog No: AG002AHP MDL No:
Product Description
Catalog Number:
AG002AHP
Chemical Name:
[1,1'-Biphenyl]-2,2'-diol, 5,5'-dipropyl-
CAS Number:
20601-85-8
Molecular Formula:
C18H22O2
Molecular Weight:
270.3661
IUPAC Name:
2-(2-hydroxy-5-propylphenyl)-4-propylphenol
InChI:
InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
InChI Key:
OYAQUBKYAKSHOA-UHFFFAOYSA-N
SMILES:
CCCc1ccc(c(c1)c1cc(CCC)ccc1O)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.372g/mol
Monoisotopic Mass:
270.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Allergic contact dermatitis caused by a skin-lightening agent, 5,5'-dipropylbiphenyl-2,2'-diol. A comment. | Contact dermatitis 20120601 |
| Allergic contact dermatitis caused by a skin-lightening agent, 5,5'-dipropylbiphenyl-2,2'-diol. | Contact dermatitis 20120101 |
| Cytotoxic neolignans: an SAR study. | Bioorganic & medicinal chemistry letters 20050103 |
| Down-regulation of melanin synthesis by a biphenyl derivative and its mechanism. | Pigment cell research 20031001 |
| Novel openers of Ca2+-dependent large-conductance potassium channels: symmetrical pharmacophore and electrophysiological evaluation of bisphenols. | Bioorganic & medicinal chemistry letters 20030417 |
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