[4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol

C18H28O — CID 143107506

IUPAC[4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol
SMILESCC(C)(C)c1cccc(C2(C)CCC(CO)CC2)c1
InChIInChI=1S/C18H28O/c1-17(2,3)15-6-5-7-16(12-15)18(4)10-8-14(13-19)9-11-18/h5-7,12,14,19H,8-11,13H2,1-4H3
InChIKeyAHIXBMIMNGDSFE-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.42
Rot. Bonds2

About [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol

[4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol (PubChem CID 143107506) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol
PubChem CID143107506
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name[4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol
SMILESCC(C)(C)c1cccc(C2(C)CCC(CO)CC2)c1
InChIInChI=1S/C18H28O/c1-17(2,3)15-6-5-7-16(12-15)18(4)10-8-14(13-19)9-11-18/h5-7,12,14,19H,8-11,13H2,1-4H3
InChIKeyAHIXBMIMNGDSFE-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol?
The IUPAC name of [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol (CID 143107506) is [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol?
The canonical SMILES for [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol is CC(C)(C)c1cccc(C2(C)CCC(CO)CC2)c1.
What is the InChIKey of [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol?
The InChIKey is AHIXBMIMNGDSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-17(2,3)15-6-5-7-16(12-15)18(4)10-8-14(13-19)9-11-18/h5-7,12,14,19H,8-11,13H2,1-4H3.
What are the key properties of [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol?
[4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol has a molecular weight of 260.42 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-tert-butylphenyl)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 143107506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).