(2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol

C16H22F2O — CID 115806125

IUPAC(2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol
SMILESCc1cc(C(O)C2CCC(C)C(C)C2)c(F)cc1F
InChIInChI=1S/C16H22F2O/c1-9-4-5-12(6-10(9)2)16(19)13-7-11(3)14(17)8-15(13)18/h7-10,12,16,19H,4-6H2,1-3H3
InChIKeyTYOQIZYKBCJRNS-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.38
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol

(2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol (PubChem CID 115806125) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol
PubChem CID115806125
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name(2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol
SMILESCc1cc(C(O)C2CCC(C)C(C)C2)c(F)cc1F
InChIInChI=1S/C16H22F2O/c1-9-4-5-12(6-10(9)2)16(19)13-7-11(3)14(17)8-15(13)18/h7-10,12,16,19H,4-6H2,1-3H3
InChIKeyTYOQIZYKBCJRNS-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol (CID 115806125) is (2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol is Cc1cc(C(O)C2CCC(C)C(C)C2)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol?
The InChIKey is TYOQIZYKBCJRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-9-4-5-12(6-10(9)2)16(19)13-7-11(3)14(17)8-15(13)18/h7-10,12,16,19H,4-6H2,1-3H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol?
(2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol has a molecular weight of 268.35 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 115806125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).