4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol

C16H23FO2 — CID 104792990

IUPAC4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(Cc2cccc(OC)c2F)CC1
InChIInChI=1S/C16H23FO2/c1-3-12-7-9-16(18,10-8-12)11-13-5-4-6-14(19-2)15(13)17/h4-6,12,18H,3,7-11H2,1-2H3
InChIKeyCRIRFVYMDSOPMS-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.71
Rot. Bonds4

About 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol

4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 104792990) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID104792990
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(Cc2cccc(OC)c2F)CC1
InChIInChI=1S/C16H23FO2/c1-3-12-7-9-16(18,10-8-12)11-13-5-4-6-14(19-2)15(13)17/h4-6,12,18H,3,7-11H2,1-2H3
InChIKeyCRIRFVYMDSOPMS-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

4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol
CID 104793164
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
CID 113453697
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 104793153
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 104794707
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 104791871
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol (CID 104792990) is 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol is CCC1CCC(O)(Cc2cccc(OC)c2F)CC1.
What is the InChIKey of 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is CRIRFVYMDSOPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-3-12-7-9-16(18,10-8-12)11-13-5-4-6-14(19-2)15(13)17/h4-6,12,18H,3,7-11H2,1-2H3.
What are the key properties of 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol?
4-ethyl-1-[(2-fluoro-3-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 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 104792990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).