1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

C16H22F2O — CID 63409046

IUPAC1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(c2cc(F)ccc2F)C1
InChIInChI=1S/C16H22F2O/c1-10(2)13-6-4-11(3)9-16(13,19)14-8-12(17)5-7-15(14)18/h5,7-8,10-11,13,19H,4,6,9H2,1-3H3
InChIKeyHMELTHVVTLEVHD-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.24
Rot. Bonds2

About 1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 63409046) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID63409046
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(c2cc(F)ccc2F)C1
InChIInChI=1S/C16H22F2O/c1-10(2)13-6-4-11(3)9-16(13,19)14-8-12(17)5-7-15(14)18/h5,7-8,10-11,13,19H,4,6,9H2,1-3H3
InChIKeyHMELTHVVTLEVHD-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409045
1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 114601039
1-(2,5-difluorophenyl)-3-methylcyclobutan-1-ol
CID 103564462
1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409211
CID 11151972
CID 11151972
(1S,2S,5R)-1-[6-[(1S,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]-2-pyridinyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101183743
1-(2,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64515768
5-methyl-1-(2-methylpyrazol-3-yl)-2-propan-2-ylcyclohexan-1-ol
CID 63960927
(1R,2R,5S)-1-(6-bromo-2-pyridinyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 100993924
1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 54919417
5-methyl-2-propan-2-yl-1-pyrazin-2-ylcyclohexan-1-ol
CID 63968166
1-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 102617496

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 63409046) is 1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(c2cc(F)ccc2F)C1.
What is the InChIKey of 1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is HMELTHVVTLEVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-10(2)13-6-4-11(3)9-16(13,19)14-8-12(17)5-7-15(14)18/h5,7-8,10-11,13,19H,4,6,9H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 268.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63409046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).