3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol

C15H20F2O — CID 79730321

IUPAC3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
SMILESCc1cc(C(O)CCC2CCCC2)c(F)cc1F
InChIInChI=1S/C15H20F2O/c1-10-8-12(14(17)9-13(10)16)15(18)7-6-11-4-2-3-5-11/h8-9,11,15,18H,2-7H2,1H3
InChIKeySPRUEDXEKQUSNM-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.28
Rot. Bonds4

About 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol

3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol (PubChem CID 79730321) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
PubChem CID79730321
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
SMILESCc1cc(C(O)CCC2CCCC2)c(F)cc1F
InChIInChI=1S/C15H20F2O/c1-10-8-12(14(17)9-13(10)16)15(18)7-6-11-4-2-3-5-11/h8-9,11,15,18H,2-7H2,1H3
InChIKeySPRUEDXEKQUSNM-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)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

3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441
1-(1-chloro-3-cyclohexylpropyl)-2,4-difluoro-5-methylbenzene
CID 79730355
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79730679
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 115831293
1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene
CID 79730955
3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797110
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
N-[2-cyclohexyl-1-(2,4-difluoro-5-methylphenyl)ethyl]propan-2-amine
CID 79726318
3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol
CID 63427096
(2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol
CID 115807295

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol (CID 79730321) is 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol is Cc1cc(C(O)CCC2CCCC2)c(F)cc1F.
What is the InChIKey of 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol?
The InChIKey is SPRUEDXEKQUSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-10-8-12(14(17)9-13(10)16)15(18)7-6-11-4-2-3-5-11/h8-9,11,15,18H,2-7H2,1H3.
What are the key properties of 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol?
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol has a molecular weight of 254.32 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 79730321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).