3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol

C17H23FO2 — CID 65154268

IUPAC3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1ccc(CC2(O)CCCC(C3CC3)C2)cc1F
InChIInChI=1S/C17H23FO2/c1-20-16-7-4-12(9-15(16)18)10-17(19)8-2-3-14(11-17)13-5-6-13/h4,7,9,13-14,19H,2-3,5-6,8,10-11H2,1H3
InChIKeyURRIGLPBKODSDL-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.71
Rot. Bonds4

About 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol

3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 65154268) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID65154268
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1ccc(CC2(O)CCCC(C3CC3)C2)cc1F
InChIInChI=1S/C17H23FO2/c1-20-16-7-4-12(9-15(16)18)10-17(19)8-2-3-14(11-17)13-5-6-13/h4,7,9,13-14,19H,2-3,5-6,8,10-11H2,1H3
InChIKeyURRIGLPBKODSDL-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64595828
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65154167
3-[(3-fluoro-4-methoxyphenyl)methyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171955064
3-[(3-fluoro-4-methoxyphenyl)methyl]-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171955063
3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol
CID 83823334
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine
CID 64595065
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890
1-[(3-fluoro-4-methoxyphenyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663938
3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538891

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol (CID 65154268) is 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol is COc1ccc(CC2(O)CCCC(C3CC3)C2)cc1F.
What is the InChIKey of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is URRIGLPBKODSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2/c1-20-16-7-4-12(9-15(16)18)10-17(19)8-2-3-14(11-17)13-5-6-13/h4,7,9,13-14,19H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol?
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 278.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65154268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).