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

C16H15FO2 — CID 175647166

IUPAC1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone
SMILESCOc1ccc(F)c(-c2ccc(C)c(C(C)=O)c2)c1
InChIInChI=1S/C16H15FO2/c1-10-4-5-12(8-14(10)11(2)18)15-9-13(19-3)6-7-16(15)17/h4-9H,1-3H3
InChIKeyZKKUIQQENULHDP-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.01
Rot. Bonds3

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

1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone (PubChem CID 175647166) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone
PubChem CID175647166
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone
SMILESCOc1ccc(F)c(-c2ccc(C)c(C(C)=O)c2)c1
InChIInChI=1S/C16H15FO2/c1-10-4-5-12(8-14(10)11(2)18)15-9-13(19-3)6-7-16(15)17/h4-9H,1-3H3
InChIKeyZKKUIQQENULHDP-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

1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone
CID 139791589
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876954
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226516
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile
CID 53220005
2-(4-fluoro-3-methoxycarbonylphenyl)-5-methoxybenzoic acid
CID 53228031
4-(2-fluoro-5-methoxyphenyl)-1H-pyridin-2-one
CID 53217805
1-[2-acetyl-4-[4-(3-acetyl-4-methylphenyl)phenyl]phenyl]ethanone
CID 143811695
6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one
CID 169409888
bis[2-(4-fluoro-3-nitrophenyl)-4-methoxyphenyl]methanone
CID 141011357

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone?
The IUPAC name of 1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone (CID 175647166) is 1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone is COc1ccc(F)c(-c2ccc(C)c(C(C)=O)c2)c1.
What is the InChIKey of 1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone?
The InChIKey is ZKKUIQQENULHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-10-4-5-12(8-14(10)11(2)18)15-9-13(19-3)6-7-16(15)17/h4-9H,1-3H3.
What are the key properties of 1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone?
1-[5-(2-fluoro-5-methoxyphenyl)-2-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-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone is sourced from PubChem (CID 175647166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).