(4-butylcyclohexyl)-(3-methylphenyl)methanol

C18H28O — CID 114978020

IUPAC(4-butylcyclohexyl)-(3-methylphenyl)methanol
SMILESCCCCC1CCC(C(O)c2cccc(C)c2)CC1
InChIInChI=1S/C18H28O/c1-3-4-7-15-9-11-16(12-10-15)18(19)17-8-5-6-14(2)13-17/h5-6,8,13,15-16,18-19H,3-4,7,9-12H2,1-2H3
InChIKeyQVIWYOXJDVEZDK-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.03
Rot. Bonds5

About (4-butylcyclohexyl)-(3-methylphenyl)methanol

(4-butylcyclohexyl)-(3-methylphenyl)methanol (PubChem CID 114978020) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(3-methylphenyl)methanol
PubChem CID114978020
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(4-butylcyclohexyl)-(3-methylphenyl)methanol
SMILESCCCCC1CCC(C(O)c2cccc(C)c2)CC1
InChIInChI=1S/C18H28O/c1-3-4-7-15-9-11-16(12-10-15)18(19)17-8-5-6-14(2)13-17/h5-6,8,13,15-16,18-19H,3-4,7,9-12H2,1-2H3
InChIKeyQVIWYOXJDVEZDK-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-butylcyclohexyl)-(3-methylphenyl)methanol 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-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
CID 65400122
(4-butylcyclohexyl)-(4-chlorophenyl)methanol
CID 63426121
(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol
CID 79747124
(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol
CID 63428449
(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613
[(4-butylcyclohexyl)-chloromethyl]benzene
CID 63429103
1-(3-methylphenyl)decan-1-ol
CID 63411280
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
CID 57319762
(4-ethylcyclohexyl)-(3-methoxyphenyl)methanol
CID 64749539
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(3-methylphenyl)methanol?
The IUPAC name of (4-butylcyclohexyl)-(3-methylphenyl)methanol (CID 114978020) is (4-butylcyclohexyl)-(3-methylphenyl)methanol.
What is the SMILES notation for (4-butylcyclohexyl)-(3-methylphenyl)methanol?
The canonical SMILES for (4-butylcyclohexyl)-(3-methylphenyl)methanol is CCCCC1CCC(C(O)c2cccc(C)c2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(3-methylphenyl)methanol?
The InChIKey is QVIWYOXJDVEZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-4-7-15-9-11-16(12-10-15)18(19)17-8-5-6-14(2)13-17/h5-6,8,13,15-16,18-19H,3-4,7,9-12H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-(3-methylphenyl)methanol?
(4-butylcyclohexyl)-(3-methylphenyl)methanol has a molecular weight of 260.42 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(3-methylphenyl)methanol is sourced from PubChem (CID 114978020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).