3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol

C13H16F2O — CID 82822255

IUPAC3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(F)c(C2CCCC(O)C2)c1F
InChIInChI=1S/C13H16F2O/c1-8-5-6-11(14)12(13(8)15)9-3-2-4-10(16)7-9/h5-6,9-10,16H,2-4,7H2,1H3
InChIKeyBMTMQPXQGLTHIG-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.29
Rot. Bonds1

About 3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol

3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol (PubChem CID 82822255) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol
PubChem CID82822255
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(F)c(C2CCCC(O)C2)c1F
InChIInChI=1S/C13H16F2O/c1-8-5-6-11(14)12(13(8)15)9-3-2-4-10(16)7-9/h5-6,9-10,16H,2-4,7H2,1H3
InChIKeyBMTMQPXQGLTHIG-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,6-difluoro-3-methylphenyl)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 3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol (CID 82822255) is 3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol is Cc1ccc(F)c(C2CCCC(O)C2)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol?
The InChIKey is BMTMQPXQGLTHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-8-5-6-11(14)12(13(8)15)9-3-2-4-10(16)7-9/h5-6,9-10,16H,2-4,7H2,1H3.
What are the key properties of 3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol?
3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 82822255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).