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

C21H32O — CID 57113131

IUPAC4-[bis(3-methylcyclohexyl)methyl]phenol
SMILESCC1CCCC(C(c2ccc(O)cc2)C2CCCC(C)C2)C1
InChIInChI=1S/C21H32O/c1-15-5-3-7-18(13-15)21(17-9-11-20(22)12-10-17)19-8-4-6-16(2)14-19/h9-12,15-16,18-19,21-22H,3-8,13-14H2,1-2H3
InChIKeyVLBKXCZQPSFUFN-UHFFFAOYSA-N
MW300.49 g/mol
LogP6.13
Rot. Bonds3

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

4-[bis(3-methylcyclohexyl)methyl]phenol (PubChem CID 57113131) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is 4-[bis(3-methylcyclohexyl)methyl]phenol.

Molecular Properties

Compound Name4-[bis(3-methylcyclohexyl)methyl]phenol
PubChem CID57113131
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name4-[bis(3-methylcyclohexyl)methyl]phenol
SMILESCC1CCCC(C(c2ccc(O)cc2)C2CCCC(C)C2)C1
InChIInChI=1S/C21H32O/c1-15-5-3-7-18(13-15)21(17-9-11-20(22)12-10-17)19-8-4-6-16(2)14-19/h9-12,15-16,18-19,21-22H,3-8,13-14H2,1-2H3
InChIKeyVLBKXCZQPSFUFN-UHFFFAOYSA-N
XLogP6.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[bis(3-methylcyclohexyl)methyl]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-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol
CID 176616268
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
4-(1-cyclobutyl-3-hydroxypropyl)phenol
CID 115024794
4-[2-cyclobutyl-2-(4-hydroxyphenyl)ethyl]phenol
CID 151360371
2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
CID 104846164
[(3-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105194279
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
4-[3-[(3-methylcyclohexyl)amino]butyl]phenol
CID 43317708
(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
CID 65026372

Frequently Asked Questions

What is the IUPAC name of 4-[bis(3-methylcyclohexyl)methyl]phenol?
The IUPAC name of 4-[bis(3-methylcyclohexyl)methyl]phenol (CID 57113131) is 4-[bis(3-methylcyclohexyl)methyl]phenol.
What is the SMILES notation for 4-[bis(3-methylcyclohexyl)methyl]phenol?
The canonical SMILES for 4-[bis(3-methylcyclohexyl)methyl]phenol is CC1CCCC(C(c2ccc(O)cc2)C2CCCC(C)C2)C1.
What is the InChIKey of 4-[bis(3-methylcyclohexyl)methyl]phenol?
The InChIKey is VLBKXCZQPSFUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O/c1-15-5-3-7-18(13-15)21(17-9-11-20(22)12-10-17)19-8-4-6-16(2)14-19/h9-12,15-16,18-19,21-22H,3-8,13-14H2,1-2H3.
What are the key properties of 4-[bis(3-methylcyclohexyl)methyl]phenol?
4-[bis(3-methylcyclohexyl)methyl]phenol has a molecular weight of 300.49 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(3-methylcyclohexyl)methyl]phenol is sourced from PubChem (CID 57113131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).