4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol

C21H26O2 — CID 22011129

IUPAC4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol
SMILESCC1CC(C)C(C)C(c2ccc(O)cc2)(c2ccc(O)cc2)C1
InChIInChI=1S/C21H26O2/c1-14-12-15(2)16(3)21(13-14,17-4-8-19(22)9-5-17)18-6-10-20(23)11-7-18/h4-11,14-16,22-23H,12-13H2,1-3H3
InChIKeyXDXZLSVEQZAGIQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.09
Rot. Bonds2

About 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol

4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol (PubChem CID 22011129) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol
PubChem CID22011129
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol
SMILESCC1CC(C)C(C)C(c2ccc(O)cc2)(c2ccc(O)cc2)C1
InChIInChI=1S/C21H26O2/c1-14-12-15(2)16(3)21(13-14,17-4-8-19(22)9-5-17)18-6-10-20(23)11-7-18/h4-11,14-16,22-23H,12-13H2,1-3H3
InChIKeyXDXZLSVEQZAGIQ-UHFFFAOYSA-N
XLogP5.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-Pentylphenol
CID 6643
Estradiol
CID 5757
Diethylstilbestrol
CID 448537
alpha-Estradiol
CID 68570
Bisphenol A
CID 6623
Dienestrol
CID 667476
4-tert-Butylphenol
CID 7393
Magnolol
CID 72300
Hexestrol
CID 192197
2,4-Di-tert-butylphenol
CID 7311
4-Tert-octylphenol
CID 8814
Masoprocol
CID 71398

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol (CID 22011129) is 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol is CC1CC(C)C(C)C(c2ccc(O)cc2)(c2ccc(O)cc2)C1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol?
The InChIKey is XDXZLSVEQZAGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-14-12-15(2)16(3)21(13-14,17-4-8-19(22)9-5-17)18-6-10-20(23)11-7-18/h4-11,14-16,22-23H,12-13H2,1-3H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol?
4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol has a molecular weight of 310.44 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-2,3,5-trimethylcyclohexyl]phenol is sourced from PubChem (CID 22011129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).