1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone

C15H19FO2 — CID 82297467

IUPAC1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
SMILESCOc1ccc(C2(C(C)=O)CCCCC2)cc1F
InChIInChI=1S/C15H19FO2/c1-11(17)15(8-4-3-5-9-15)12-6-7-14(18-2)13(16)10-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyVGPCWEXSZYTZEX-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.63
Rot. Bonds3

About 1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone

1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone (PubChem CID 82297467) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
PubChem CID82297467
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
SMILESCOc1ccc(C2(C(C)=O)CCCCC2)cc1F
InChIInChI=1S/C15H19FO2/c1-11(17)15(8-4-3-5-9-15)12-6-7-14(18-2)13(16)10-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyVGPCWEXSZYTZEX-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone
CID 117046363
1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone
CID 117046703
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 142504266
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
CID 83688403
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid
CID 95484471
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
CID 116844569
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
methyl 1-(3,4-difluorophenyl)cyclobutane-1-carboxylate
CID 116963872

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone?
The IUPAC name of 1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone (CID 82297467) is 1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone?
The canonical SMILES for 1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone is COc1ccc(C2(C(C)=O)CCCCC2)cc1F.
What is the InChIKey of 1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone?
The InChIKey is VGPCWEXSZYTZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-11(17)15(8-4-3-5-9-15)12-6-7-14(18-2)13(16)10-12/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone?
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone has a molecular weight of 250.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone is sourced from PubChem (CID 82297467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).