3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol

C13H16F2O — CID 107514414

IUPAC3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
SMILESCc1ccc(C2(C)CCC(O)C2)c(F)c1F
InChIInChI=1S/C13H16F2O/c1-8-3-4-10(12(15)11(8)14)13(2)6-5-9(16)7-13/h3-4,9,16H,5-7H2,1-2H3
InChIKeyVVBSQTUQBRBTHS-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.08
Rot. Bonds1

About 3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol

3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol (PubChem CID 107514414) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
PubChem CID107514414
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
SMILESCc1ccc(C2(C)CCC(O)C2)c(F)c1F
InChIInChI=1S/C13H16F2O/c1-8-3-4-10(12(15)11(8)14)13(2)6-5-9(16)7-13/h3-4,9,16H,5-7H2,1-2H3
InChIKeyVVBSQTUQBRBTHS-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
CID 107129482
3-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclopentan-1-ol
CID 103434384
3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol
CID 116540086
2-(2,3-difluoro-4-methylphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 107512332
1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine
CID 107512496
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol
CID 116540045
2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene
CID 116540187
3-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)cyclohexan-1-amine
CID 107512498
1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol
CID 107512064
1-(2,3-difluoro-4-methylphenyl)cyclohex-2-en-1-ol
CID 107512381
3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol
CID 116540088
1-(2,3-difluoro-4-methylphenyl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 58058754

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol?
The IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol (CID 107514414) is 3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol is Cc1ccc(C2(C)CCC(O)C2)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol?
The InChIKey is VVBSQTUQBRBTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-8-3-4-10(12(15)11(8)14)13(2)6-5-9(16)7-13/h3-4,9,16H,5-7H2,1-2H3.
What are the key properties of 3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol?
3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 107514414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).