3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol

C15H20F2O — CID 61088667

IUPAC3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
SMILESOC(CCC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2O/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15,18H,1-6,9H2
InChIKeyIZMKTGVUVULKDH-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.36
Rot. Bonds4

About 3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol

3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol (PubChem CID 61088667) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
PubChem CID61088667
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
SMILESOC(CCC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2O/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15,18H,1-6,9H2
InChIKeyIZMKTGVUVULKDH-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclohexyl-1-(2,4-difluorophenyl)propan-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-(1-bromo-3-cyclohexylpropyl)-2,4-difluorobenzene
CID 63441829
1-(2-amino-5-fluorophenyl)-3-cyclohexylpropan-1-ol
CID 114192030
3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797110
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
CID 63442452
[2-bromo-2-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
CID 116830989
[3-cyclohexyl-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 114193435

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol?
The IUPAC name of 3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol (CID 61088667) is 3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol is OC(CCC1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol?
The InChIKey is IZMKTGVUVULKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15,18H,1-6,9H2.
What are the key properties of 3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol?
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol has a molecular weight of 254.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 61088667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).