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

C16H23FO2 — CID 65149488

IUPAC3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCCC1CCCC(O)(Cc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H23FO2/c1-3-12-5-4-8-16(18,10-12)11-13-6-7-15(19-2)14(17)9-13/h6-7,9,12,18H,3-5,8,10-11H2,1-2H3
InChIKeyXEMGUWGDOFXQCT-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.71
Rot. Bonds4

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

3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 65149488) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID65149488
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCCC1CCCC(O)(Cc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H23FO2/c1-3-12-5-4-8-16(18,10-12)11-13-6-7-15(19-2)14(17)9-13/h6-7,9,12,18H,3-5,8,10-11H2,1-2H3
InChIKeyXEMGUWGDOFXQCT-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65154167
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64514304
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
4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 65116509
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
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-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol (CID 65149488) is 3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol is CCC1CCCC(O)(Cc2ccc(OC)c(F)c2)C1.
What is the InChIKey of 3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is XEMGUWGDOFXQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-3-12-5-4-8-16(18,10-12)11-13-6-7-15(19-2)14(17)9-13/h6-7,9,12,18H,3-5,8,10-11H2,1-2H3.
What are the key properties of 3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol?
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 266.36 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-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65149488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).