1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone

C15H13FO2 — CID 176614232

IUPAC1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone
SMILESCOc1cc(-c2ccccc2)c(F)cc1C(C)=O
InChIInChI=1S/C15H13FO2/c1-10(17)12-8-14(16)13(9-15(12)18-2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyNQGBNJYSGGHOMD-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.70
Rot. Bonds3

About 1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone

1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone (PubChem CID 176614232) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone
PubChem CID176614232
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone
SMILESCOc1cc(-c2ccccc2)c(F)cc1C(C)=O
InChIInChI=1S/C15H13FO2/c1-10(17)12-8-14(16)13(9-15(12)18-2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyNQGBNJYSGGHOMD-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methoxy-4-phenylbenzoic acid
CID 170991634
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
1-(3,4-difluoro-5-phenylphenyl)ethanone
CID 117335912
1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone
CID 131610488
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide
CID 22093469
4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
CID 150553095
1-(4,5-difluoro-2-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 162367051
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone (CID 176614232) is 1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone is COc1cc(-c2ccccc2)c(F)cc1C(C)=O.
What is the InChIKey of 1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone?
The InChIKey is NQGBNJYSGGHOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10(17)12-8-14(16)13(9-15(12)18-2)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone?
1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone has a molecular weight of 244.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone is sourced from PubChem (CID 176614232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).