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

C16H22F2O — CID 107512064

IUPAC1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(c2ccc(C)c(F)c2F)CC1
InChIInChI=1S/C16H22F2O/c1-3-4-12-7-9-16(19,10-8-12)13-6-5-11(2)14(17)15(13)18/h5-6,12,19H,3-4,7-10H2,1-2H3
InChIKeyPKYVHIKCBTWEAV-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.45
Rot. Bonds3

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

1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol (PubChem CID 107512064) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol
PubChem CID107512064
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(c2ccc(C)c(F)c2F)CC1
InChIInChI=1S/C16H22F2O/c1-3-4-12-7-9-16(19,10-8-12)13-6-5-11(2)14(17)15(13)18/h5-6,12,19H,3-4,7-10H2,1-2H3
InChIKeyPKYVHIKCBTWEAV-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol (CID 107512064) is 1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)(c2ccc(C)c(F)c2F)CC1.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol?
The InChIKey is PKYVHIKCBTWEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-3-4-12-7-9-16(19,10-8-12)13-6-5-11(2)14(17)15(13)18/h5-6,12,19H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol?
1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol has a molecular weight of 268.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 107512064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).