1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C17H25FO — CID 54919417

IUPAC1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(Cc2ccccc2F)C1
InChIInChI=1S/C17H25FO/c1-12(2)15-9-8-13(3)10-17(15,19)11-14-6-4-5-7-16(14)18/h4-7,12-13,15,19H,8-11H2,1-3H3
InChIKeyPKZPACQMOILPAM-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.19
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 54919417) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID54919417
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(Cc2ccccc2F)C1
InChIInChI=1S/C17H25FO/c1-12(2)15-9-8-13(3)10-17(15,19)11-14-6-4-5-7-16(14)18/h4-7,12-13,15,19H,8-11H2,1-3H3
InChIKeyPKZPACQMOILPAM-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 65316567
1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 60798187
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
(1S,2S,5R)-N-[2-(2-fluorophenyl)-2-oxoethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 164537854
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432845
1-[(2-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513406
3-[(2-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959060
N-[2-(2,3-difluorophenyl)-2-oxoethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432806
1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63411451
2-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]acetonitrile
CID 11321509
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335
5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 65142694

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 54919417) is 1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is PKZPACQMOILPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-12(2)15-9-8-13(3)10-17(15,19)11-14-6-4-5-7-16(14)18/h4-7,12-13,15,19H,8-11H2,1-3H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 264.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 54919417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).