1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone

C16H15FO2 — CID 82808065

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2ccc(C)cc2)c1F
InChIInChI=1S/C16H15FO2/c1-11-6-8-12(9-7-11)10-14(18)13-4-3-5-15(19-2)16(13)17/h3-9H,10H2,1-2H3
InChIKeyDSUJIVSDXXQEOT-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.57
Rot. Bonds4

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

1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone (PubChem CID 82808065) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
PubChem CID82808065
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2ccc(C)cc2)c1F
InChIInChI=1S/C16H15FO2/c1-11-6-8-12(9-7-11)10-14(18)13-4-3-5-15(19-2)16(13)17/h3-9H,10H2,1-2H3
InChIKeyDSUJIVSDXXQEOT-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
CID 61079926
1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 82808484
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 103394230
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105412160
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 64713786
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone (CID 82808065) is 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone is COc1cccc(C(=O)Cc2ccc(C)cc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is DSUJIVSDXXQEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11-6-8-12(9-7-11)10-14(18)13-4-3-5-15(19-2)16(13)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone?
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone has a molecular weight of 258.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 82808065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).