4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol

C20H24O2 — CID 176616268

IUPAC4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol
SMILESCC1CCCC(C(c2ccc(O)cc2)c2ccc(O)cc2)C1
InChIInChI=1S/C20H24O2/c1-14-3-2-4-17(13-14)20(15-5-9-18(21)10-6-15)16-7-11-19(22)12-8-16/h5-12,14,17,20-22H,2-4,13H2,1H3
InChIKeyGTYMMHVORUJSQC-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.06
Rot. Bonds3

About 4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol

4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol (PubChem CID 176616268) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol
PubChem CID176616268
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol
SMILESCC1CCCC(C(c2ccc(O)cc2)c2ccc(O)cc2)C1
InChIInChI=1S/C20H24O2/c1-14-3-2-4-17(13-14)20(15-5-9-18(21)10-6-15)16-7-11-19(22)12-8-16/h5-12,14,17,20-22H,2-4,13H2,1H3
InChIKeyGTYMMHVORUJSQC-UHFFFAOYSA-N
XLogP5.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
2,4-Di-tert-butylphenol
CID 7311
4-Tert-octylphenol
CID 8814
Propofol
CID 4943

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol (CID 176616268) is 4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol is CC1CCCC(C(c2ccc(O)cc2)c2ccc(O)cc2)C1.
What is the InChIKey of 4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol?
The InChIKey is GTYMMHVORUJSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-14-3-2-4-17(13-14)20(15-5-9-18(21)10-6-15)16-7-11-19(22)12-8-16/h5-12,14,17,20-22H,2-4,13H2,1H3.
What are the key properties of 4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol?
4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol has a molecular weight of 296.41 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol is sourced from PubChem (CID 176616268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).