(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol

C15H20F2O — CID 105091922

IUPAC(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)C2CCC(F)(F)CC2)c1C
InChIInChI=1S/C15H20F2O/c1-10-4-3-5-13(11(10)2)14(18)12-6-8-15(16,17)9-7-12/h3-5,12,14,18H,6-9H2,1-2H3
InChIKeyURPWBPSHAKGONH-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.16
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol

(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol (PubChem CID 105091922) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
PubChem CID105091922
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)C2CCC(F)(F)CC2)c1C
InChIInChI=1S/C15H20F2O/c1-10-4-3-5-13(11(10)2)14(18)12-6-8-15(16,17)9-7-12/h3-5,12,14,18H,6-9H2,1-2H3
InChIKeyURPWBPSHAKGONH-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424313
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
CID 105093857
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol
CID 105112974
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
(2,3-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115791618
6-bicyclo[3.1.0]hexanyl-(2,3-dimethylphenyl)methanol
CID 115791560

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol (CID 105091922) is (4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol is Cc1cccc(C(O)C2CCC(F)(F)CC2)c1C.
What is the InChIKey of (4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol?
The InChIKey is URPWBPSHAKGONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-10-4-3-5-13(11(10)2)14(18)12-6-8-15(16,17)9-7-12/h3-5,12,14,18H,6-9H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol?
(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol has a molecular weight of 254.32 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 105091922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).