1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone

C16H14ClFO2 — CID 81045109

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(C)c(F)cc2Cl)cc1
InChIInChI=1S/C16H14ClFO2/c1-10-7-13(14(17)9-15(10)18)16(19)8-11-3-5-12(20-2)6-4-11/h3-7,9H,8H2,1-2H3
InChIKeyMSQZXAVUQUKJOT-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.22
Rot. Bonds4

About 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 81045109) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID81045109
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(C)c(F)cc2Cl)cc1
InChIInChI=1S/C16H14ClFO2/c1-10-7-13(14(17)9-15(10)18)16(19)8-11-3-5-12(20-2)6-4-11/h3-7,9H,8H2,1-2H3
InChIKeyMSQZXAVUQUKJOT-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

1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 81045569
1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58913540
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271
ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 144761231
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890861
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175
7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one
CID 12002170

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone (CID 81045109) is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(C)c(F)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is MSQZXAVUQUKJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-10-7-13(14(17)9-15(10)18)16(19)8-11-3-5-12(20-2)6-4-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-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 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 81045109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).