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

C16H14ClFO2 — CID 106865397

IUPAC2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(C)cc2Cl)ccc1F
InChIInChI=1S/C16H14ClFO2/c1-10-3-4-11(13(17)7-10)8-15(19)12-5-6-14(18)16(9-12)20-2/h3-7,9H,8H2,1-2H3
InChIKeyOSYRDBFKQQMPEZ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.22
Rot. Bonds4

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

2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone (PubChem CID 106865397) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
PubChem CID106865397
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(C)cc2Cl)ccc1F
InChIInChI=1S/C16H14ClFO2/c1-10-3-4-11(13(17)7-10)8-15(19)12-5-6-14(18)16(9-12)20-2/h3-7,9H,8H2,1-2H3
InChIKeyOSYRDBFKQQMPEZ-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
CID 58400732
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 106865501
2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 106865778
2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114963475
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106865458
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone (CID 106865397) is 2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone is COc1cc(C(=O)Cc2ccc(C)cc2Cl)ccc1F.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is OSYRDBFKQQMPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-10-3-4-11(13(17)7-10)8-15(19)12-5-6-14(18)16(9-12)20-2/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 292.74 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 106865397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).