4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol

C19H26F2O — CID 58453704

IUPAC4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
SMILESCc1ccc(C2CCC(C3CCC(O)CC3)CC2)c(F)c1F
InChIInChI=1S/C19H26F2O/c1-12-2-11-17(19(21)18(12)20)15-5-3-13(4-6-15)14-7-9-16(22)10-8-14/h2,11,13-16,22H,3-10H2,1H3
InChIKeyVBWBCWCHPWZJCM-UHFFFAOYSA-N
MW308.41 g/mol
LogP5.10
Rot. Bonds2

About 4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol

4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol (PubChem CID 58453704) has the molecular formula C19H26F2O and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
PubChem CID58453704
Molecular FormulaC19H26F2O
Molecular Weight308.41 g/mol
Exact Mass308.20
IUPAC Name4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
SMILESCc1ccc(C2CCC(C3CCC(O)CC3)CC2)c(F)c1F
InChIInChI=1S/C19H26F2O/c1-12-2-11-17(19(21)18(12)20)15-5-3-13(4-6-15)14-7-9-16(22)10-8-14/h2,11,13-16,22H,3-10H2,1H3
InChIKeyVBWBCWCHPWZJCM-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
CID 58058777
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
CID 170391070
4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639
2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane
CID 158692568
5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran
CID 118358966
2,3-difluoro-1-[4-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
CID 118316622
2,3-difluoro-1-methyl-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene;rhenium
CID 173489359
2-butyl-6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868866
4-[4-(3-chloro-2-fluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-amine
CID 130252791

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol (CID 58453704) is 4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol is Cc1ccc(C2CCC(C3CCC(O)CC3)CC2)c(F)c1F.
What is the InChIKey of 4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol?
The InChIKey is VBWBCWCHPWZJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2O/c1-12-2-11-17(19(21)18(12)20)15-5-3-13(4-6-15)14-7-9-16(22)10-8-14/h2,11,13-16,22H,3-10H2,1H3.
What are the key properties of 4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol?
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol has a molecular weight of 308.41 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 58453704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).