1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol

C17H25FO — CID 107429768

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H25FO/c1-13(2)10-15-4-3-9-17(19,12-15)11-14-5-7-16(18)8-6-14/h5-8,13,15,19H,3-4,9-12H2,1-2H3
InChIKeySGKNUWHWGNKBIY-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.34
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol

1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429768) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429768
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H25FO/c1-13(2)10-15-4-3-9-17(19,12-15)11-14-5-7-16(18)8-6-14/h5-8,13,15,19H,3-4,9-12H2,1-2H3
InChIKeySGKNUWHWGNKBIY-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429751
1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429837
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429783
3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 107429669
6-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331044
3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 107430055
1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430049
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429553

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429768) is 1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol is CC(C)CC1CCCC(O)(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is SGKNUWHWGNKBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-13(2)10-15-4-3-9-17(19,12-15)11-14-5-7-16(18)8-6-14/h5-8,13,15,19H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 264.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).