4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol

C22H28O — CID 174733331

IUPAC4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
SMILESCC(C)(Cc1ccc(O)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H28O/c1-22(2,16-17-8-14-21(23)15-9-17)20-12-10-19(11-13-20)18-6-4-3-5-7-18/h8-15,18,23H,3-7,16H2,1-2H3
InChIKeyNNJWCOWMUIIQTH-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.96
Rot. Bonds4

About 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol

4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol (PubChem CID 174733331) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol.

Molecular Properties

Compound Name4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
PubChem CID174733331
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
SMILESCC(C)(Cc1ccc(O)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H28O/c1-22(2,16-17-8-14-21(23)15-9-17)20-12-10-19(11-13-20)18-6-4-3-5-7-18/h8-15,18,23H,3-7,16H2,1-2H3
InChIKeyNNJWCOWMUIIQTH-UHFFFAOYSA-N
XLogP5.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]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-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
4-[2-(4-ethylphenyl)-2-methylpropyl]phenol
CID 67225480
4-[2-[4-(aminomethyl)phenyl]-2-methylpropyl]phenol
CID 174702747
4-(1-cycloheptyl-2-methylpropan-2-yl)phenol
CID 66619667
3-(4-cyclopentylphenyl)-3-methylbutanoic acid
CID 117368480
ethyl 2-(4-cyclohexylphenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 69314782
1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene
CID 90932670
N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 115262532
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
3-(4-cyclobutylphenyl)-2,2-dimethylpropanoic acid
CID 117336660
(4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium
CID 58820907

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol?
The IUPAC name of 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol (CID 174733331) is 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol.
What is the SMILES notation for 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol?
The canonical SMILES for 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol is CC(C)(Cc1ccc(O)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol?
The InChIKey is NNJWCOWMUIIQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-22(2,16-17-8-14-21(23)15-9-17)20-12-10-19(11-13-20)18-6-4-3-5-7-18/h8-15,18,23H,3-7,16H2,1-2H3.
What are the key properties of 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol?
4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol has a molecular weight of 308.47 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol is sourced from PubChem (CID 174733331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).