2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol

C32H38O3 — CID 139978952

IUPAC2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol
SMILESCC(c1cccc(O)c1)(c1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C32H38O3/c1-32(24-13-8-14-27(33)19-24,25-15-17-30(34)28(20-25)22-9-4-2-5-10-22)26-16-18-31(35)29(21-26)23-11-6-3-7-12-23/h8,13-23,33-35H,2-7,9-12H2,1H3
InChIKeyMDDKFMBCLLXGGC-UHFFFAOYSA-N
MW470.65 g/mol
LogP8.25
Rot. Bonds5

About 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol

2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol (PubChem CID 139978952) has the molecular formula C32H38O3 and a molecular weight of 470.65 g/mol. Its IUPAC name is 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol
PubChem CID139978952
Molecular FormulaC32H38O3
Molecular Weight470.65 g/mol
Exact Mass470.28
IUPAC Name2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol
SMILESCC(c1cccc(O)c1)(c1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C32H38O3/c1-32(24-13-8-14-27(33)19-24,25-15-17-30(34)28(20-25)22-9-4-2-5-10-22)26-16-18-31(35)29(21-26)23-11-6-3-7-12-23/h8,13-23,33-35H,2-7,9-12H2,1H3
InChIKeyMDDKFMBCLLXGGC-UHFFFAOYSA-N
XLogP8.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.65
LogP ≤ 58.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]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

2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol
CID 139978853
4-tert-butyl-2-cyclohexylphenol;methane
CID 174535578
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)hexan-2-yl]phenol
CID 139825069
2,3-ditert-butyl-4-cyclohexylphenol
CID 175031880
2-cyclododecylphenol
CID 22381643
4-amino-2-cyclohexylphenol
CID 4606632
4-bromo-2-cyclohexylphenol
CID 22134516
2-cyclohexyl-5-(trifluoromethyl)phenol
CID 117104272
3-cyclohexyl-4-hydroxybenzoic acid
CID 19884474
4-cyclohexyl-3-methylphenol;2-methylphenol
CID 157234017
3-cyclohexylphenol
CID 16036

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol (CID 139978952) is 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol is CC(c1cccc(O)c1)(c1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol?
The InChIKey is MDDKFMBCLLXGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O3/c1-32(24-13-8-14-27(33)19-24,25-15-17-30(34)28(20-25)22-9-4-2-5-10-22)26-16-18-31(35)29(21-26)23-11-6-3-7-12-23/h8,13-23,33-35H,2-7,9-12H2,1H3.
What are the key properties of 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol?
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol has a molecular weight of 470.65 g/mol, XLogP of 8.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 139978952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).