1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone

C15H19FO2 — CID 43188667

IUPAC1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(OC2CCCCC2C)c(F)c1
InChIInChI=1S/C15H19FO2/c1-10-5-3-4-6-14(10)18-15-8-7-12(11(2)17)9-13(15)16/h7-10,14H,3-6H2,1-2H3
InChIKeyZRJTXAZGQMECGW-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.99
Rot. Bonds3

About 1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone

1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone (PubChem CID 43188667) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone
PubChem CID43188667
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(OC2CCCCC2C)c(F)c1
InChIInChI=1S/C15H19FO2/c1-10-5-3-4-6-14(10)18-15-8-7-12(11(2)17)9-13(15)16/h7-10,14H,3-6H2,1-2H3
InChIKeyZRJTXAZGQMECGW-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(2-methylcyclohexyl)oxyaniline
CID 43123610
3,5-difluoro-4-(2-methylcyclohexyl)oxybenzoic acid
CID 63183618
1-[4-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]ethanone
CID 113389568
1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
CID 63559449
2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid
CID 79511879
1-(3,4-difluorophenyl)-2-(2-methylcyclohexyl)oxyethanone
CID 43798478
2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline
CID 115507283
bis[3-fluoro-4-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]oxyphenyl]methanone;oxalic acid
CID 160676070
4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
CID 43658441
4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid
CID 81228628
5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide
CID 63667480
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone (CID 43188667) is 1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone is CC(=O)c1ccc(OC2CCCCC2C)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone?
The InChIKey is ZRJTXAZGQMECGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-10-5-3-4-6-14(10)18-15-8-7-12(11(2)17)9-13(15)16/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone?
1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone has a molecular weight of 250.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone is sourced from PubChem (CID 43188667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).