1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone

C16H15FO2 — CID 118330428

IUPAC1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone
SMILESCOc1ccccc1-c1cc(C(C)=O)cc(C)c1F
InChIInChI=1S/C16H15FO2/c1-10-8-12(11(2)18)9-14(16(10)17)13-6-4-5-7-15(13)19-3/h4-9H,1-3H3
InChIKeyNTXZNEDGXRVYDL-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.01
Rot. Bonds3

About 1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone

1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone (PubChem CID 118330428) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone
PubChem CID118330428
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone
SMILESCOc1ccccc1-c1cc(C(C)=O)cc(C)c1F
InChIInChI=1S/C16H15FO2/c1-10-8-12(11(2)18)9-14(16(10)17)13-6-4-5-7-15(13)19-3/h4-9H,1-3H3
InChIKeyNTXZNEDGXRVYDL-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone
CID 145105680
3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
CID 176508630
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
CID 82541177
4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CID 53226448
(E)-3-[4-methoxy-3-(2-methylphenyl)phenyl]but-2-enoic acid
CID 82544129
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
1-(4-amino-3-methoxy-5-methylphenyl)ethanone
CID 54447839
1-(4-bromo-3-methoxy-5-methylphenyl)ethanone
CID 84801903
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone?
The IUPAC name of 1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone (CID 118330428) is 1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone is COc1ccccc1-c1cc(C(C)=O)cc(C)c1F.
What is the InChIKey of 1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone?
The InChIKey is NTXZNEDGXRVYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-10-8-12(11(2)18)9-14(16(10)17)13-6-4-5-7-15(13)19-3/h4-9H,1-3H3.
What are the key properties of 1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone?
1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone has a molecular weight of 258.29 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(2-methoxyphenyl)-5-methylphenyl]ethanone is sourced from PubChem (CID 118330428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).