methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate

C17H15ClO3 — CID 21325981

IUPACmethyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate
SMILESCOC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H15ClO3/c1-11-13(10-16(19)21-2)4-3-5-15(11)17(20)12-6-8-14(18)9-7-12/h3-9H,10H2,1-2H3
InChIKeyDOZPAXAQNKIPEN-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.59
Rot. Bonds4

About methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate

methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate (PubChem CID 21325981) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate
PubChem CID21325981
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Namemethyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate
SMILESCOC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H15ClO3/c1-11-13(10-16(19)21-2)4-3-5-15(11)17(20)12-6-8-14(18)9-7-12/h3-9H,10H2,1-2H3
InChIKeyDOZPAXAQNKIPEN-UHFFFAOYSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-butyl-2-methylphenyl)-(4-chlorophenyl)methanone
CID 21432886
2-[3-(4-chlorobenzoyl)-2-methylanilino]acetic acid
CID 23341862
methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
CID 12732376
methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate
CID 115461456
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
methyl 2-(2-methyl-3-nitrophenyl)acetate
CID 74891097
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate
CID 956522
(4-chlorophenyl)-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]methanone
CID 110168264
methyl 4-[4-(4-chlorobenzoyl)phenyl]butanoate
CID 10781715

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate?
The IUPAC name of methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate (CID 21325981) is methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate.
What is the SMILES notation for methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate?
The canonical SMILES for methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate is COC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1C.
What is the InChIKey of methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate?
The InChIKey is DOZPAXAQNKIPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-11-13(10-16(19)21-2)4-3-5-15(11)17(20)12-6-8-14(18)9-7-12/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate?
methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate has a molecular weight of 302.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate is sourced from PubChem (CID 21325981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).