4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol

C13H16F2O — CID 70950795

IUPAC4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol
SMILESCc1c(F)cc(C2CCC(O)CC2)cc1F
InChIInChI=1S/C13H16F2O/c1-8-12(14)6-10(7-13(8)15)9-2-4-11(16)5-3-9/h6-7,9,11,16H,2-5H2,1H3
InChIKeyAHENCNHPTVDYFH-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.29
Rot. Bonds1

About 4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol

4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol (PubChem CID 70950795) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol
PubChem CID70950795
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol
SMILESCc1c(F)cc(C2CCC(O)CC2)cc1F
InChIInChI=1S/C13H16F2O/c1-8-12(14)6-10(7-13(8)15)9-2-4-11(16)5-3-9/h6-7,9,11,16H,2-5H2,1H3
InChIKeyAHENCNHPTVDYFH-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol (CID 70950795) is 4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol is Cc1c(F)cc(C2CCC(O)CC2)cc1F.
What is the InChIKey of 4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol?
The InChIKey is AHENCNHPTVDYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-8-12(14)6-10(7-13(8)15)9-2-4-11(16)5-3-9/h6-7,9,11,16H,2-5H2,1H3.
What are the key properties of 4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol?
4-(3,5-difluoro-4-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 4-(3,5-difluoro-4-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 70950795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).