[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol

C21H30F2O — CID 134358796

IUPAC[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol
SMILESCC1CCC(c2ccc(C(O)C3CCC(C)CC3)c(F)c2F)CC1
InChIInChI=1S/C21H30F2O/c1-13-3-7-15(8-4-13)17-11-12-18(20(23)19(17)22)21(24)16-9-5-14(2)6-10-16/h11-16,21,24H,3-10H2,1-2H3
InChIKeyPQZHPOGOWYBDFL-UHFFFAOYSA-N
MW336.47 g/mol
LogP6.12
Rot. Bonds3

About [2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol

[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol (PubChem CID 134358796) has the molecular formula C21H30F2O and a molecular weight of 336.47 g/mol. Its IUPAC name is [2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol
PubChem CID134358796
Molecular FormulaC21H30F2O
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol
SMILESCC1CCC(c2ccc(C(O)C3CCC(C)CC3)c(F)c2F)CC1
InChIInChI=1S/C21H30F2O/c1-13-3-7-15(8-4-13)17-11-12-18(20(23)19(17)22)21(24)16-9-5-14(2)6-10-16/h11-16,21,24H,3-10H2,1-2H3
InChIKeyPQZHPOGOWYBDFL-UHFFFAOYSA-N
XLogP6.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.47
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(1-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene);1-cyclopentyloxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-cyclopropyloxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis((2,3-difluoro-4-methylphenyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanol);(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methanol
CID 163834983
(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol
CID 65425286
1-ethenyl-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 90893098
4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one
CID 143909524
1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 123193777
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
cyclobutyl-(2,3,4-trifluorophenyl)methanol
CID 64986364
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
CID 118967053
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 107516176
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol
CID 64776028
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol?
The IUPAC name of [2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol (CID 134358796) is [2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol.
What is the SMILES notation for [2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol?
The canonical SMILES for [2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol is CC1CCC(c2ccc(C(O)C3CCC(C)CC3)c(F)c2F)CC1.
What is the InChIKey of [2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol?
The InChIKey is PQZHPOGOWYBDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2O/c1-13-3-7-15(8-4-13)17-11-12-18(20(23)19(17)22)21(24)16-9-5-14(2)6-10-16/h11-16,21,24H,3-10H2,1-2H3.
What are the key properties of [2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol?
[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol has a molecular weight of 336.47 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 134358796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).