1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol

C14H18ClFO — CID 65147740

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
SMILESCC1CCCCC1(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H18ClFO/c1-10-4-2-3-7-14(10,17)9-11-5-6-12(16)8-13(11)15/h5-6,8,10,17H,2-4,7,9H2,1H3
InChIKeyJGJVRJDJBAPNAT-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.96
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol

1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol (PubChem CID 65147740) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
PubChem CID65147740
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
SMILESCC1CCCCC1(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H18ClFO/c1-10-4-2-3-7-14(10,17)9-11-5-6-12(16)8-13(11)15/h5-6,8,10,17H,2-4,7,9H2,1H3
InChIKeyJGJVRJDJBAPNAT-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-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

Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 114346704
1-[(2-chloro-4-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81315223
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79853110
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
1-[(2-chloro-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080210
1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873605
1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154192
3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145900
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol
CID 65395688

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol (CID 65147740) is 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol is CC1CCCCC1(O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol?
The InChIKey is JGJVRJDJBAPNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c1-10-4-2-3-7-14(10,17)9-11-5-6-12(16)8-13(11)15/h5-6,8,10,17H,2-4,7,9H2,1H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol?
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol has a molecular weight of 256.75 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 65147740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).