1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C18H27FO — CID 63407074

IUPAC1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(c2ccc(F)cc2C)CC1
InChIInChI=1S/C18H27FO/c1-5-17(3,4)14-8-10-18(20,11-9-14)16-7-6-15(19)12-13(16)2/h6-7,12,14,20H,5,8-11H2,1-4H3
InChIKeyZCRURCGGRVLAFY-UHFFFAOYSA-N
MW278.41 g/mol
LogP4.95
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 63407074) has the molecular formula C18H27FO and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID63407074
Molecular FormulaC18H27FO
Molecular Weight278.41 g/mol
Exact Mass278.20
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(c2ccc(F)cc2C)CC1
InChIInChI=1S/C18H27FO/c1-5-17(3,4)14-8-10-18(20,11-9-14)16-7-6-15(19)12-13(16)2/h6-7,12,14,20H,5,8-11H2,1-4H3
InChIKeyZCRURCGGRVLAFY-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol 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 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 63407074) is 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(c2ccc(F)cc2C)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is ZCRURCGGRVLAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FO/c1-5-17(3,4)14-8-10-18(20,11-9-14)16-7-6-15(19)12-13(16)2/h6-7,12,14,20H,5,8-11H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 278.41 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 63407074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).