2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol

C16H22F2O — CID 64767577

IUPAC2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccc(F)c(F)c2)C(O)C1
InChIInChI=1S/C16H22F2O/c1-10-4-6-12(15(19)8-10)16(2,3)11-5-7-13(17)14(18)9-11/h5,7,9-10,12,15,19H,4,6,8H2,1-3H3
InChIKeyUGTLABSARSCDSI-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.04
Rot. Bonds2

About 2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol

2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 64767577) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID64767577
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccc(F)c(F)c2)C(O)C1
InChIInChI=1S/C16H22F2O/c1-10-4-6-12(15(19)8-10)16(2,3)11-5-7-13(17)14(18)9-11/h5,7,9-10,12,15,19H,4,6,8H2,1-3H3
InChIKeyUGTLABSARSCDSI-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 134769173
2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 105395953
2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 104544388
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114606456
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
1-cyclopropyl-1-(3,4-difluorophenyl)ethanol
CID 62802186
(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114733757

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol (CID 64767577) is 2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)c2ccc(F)c(F)c2)C(O)C1.
What is the InChIKey of 2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is UGTLABSARSCDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-10-4-6-12(15(19)8-10)16(2,3)11-5-7-13(17)14(18)9-11/h5,7,9-10,12,15,19H,4,6,8H2,1-3H3.
What are the key properties of 2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 268.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 64767577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).