methyl 3-acetyl-5-chlorobenzoate

C10H9ClO3 — CID 69166843

IUPACmethyl 3-acetyl-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)cc(C(C)=O)c1
InChIInChI=1S/C10H9ClO3/c1-6(12)7-3-8(10(13)14-2)5-9(11)4-7/h3-5H,1-2H3
InChIKeyOPXFSTSZIWQYLG-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.33
Rot. Bonds2

About methyl 3-acetyl-5-chlorobenzoate

methyl 3-acetyl-5-chlorobenzoate (PubChem CID 69166843) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is methyl 3-acetyl-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-acetyl-5-chlorobenzoate
PubChem CID69166843
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Namemethyl 3-acetyl-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)cc(C(C)=O)c1
InChIInChI=1S/C10H9ClO3/c1-6(12)7-3-8(10(13)14-2)5-9(11)4-7/h3-5H,1-2H3
InChIKeyOPXFSTSZIWQYLG-UHFFFAOYSA-N
XLogP2.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-chloro-5-(2-chloropropanoyl)benzoate
CID 134648935
methyl 3-tert-butyl-5-chlorobenzoate
CID 24729628
methyl 3-chloro-5-(4-methoxycarbonylphenyl)benzoate
CID 75488137
methyl 3-acetylbenzoate
CID 15094405
methyl 3-acetyl-5-pyrrol-1-ylbenzoate
CID 18945329
dimethyl 5-acetamidobenzene-1,3-dicarboxylate
CID 610627
[4-(4-methoxycarbonylphenyl)phenyl] 3,5-diacetylbenzoate
CID 54412495
methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate
CID 146243627
1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone
CID 82535651
methyl 3-(3-bromopropyl)-5-chlorobenzoate
CID 134649009
methyl 3-(3-bromo-2-oxopropyl)-5-chlorobenzoate
CID 134648968
methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate
CID 75488397

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyl-5-chlorobenzoate?
The IUPAC name of methyl 3-acetyl-5-chlorobenzoate (CID 69166843) is methyl 3-acetyl-5-chlorobenzoate.
What is the SMILES notation for methyl 3-acetyl-5-chlorobenzoate?
The canonical SMILES for methyl 3-acetyl-5-chlorobenzoate is COC(=O)c1cc(Cl)cc(C(C)=O)c1.
What is the InChIKey of methyl 3-acetyl-5-chlorobenzoate?
The InChIKey is OPXFSTSZIWQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-6(12)7-3-8(10(13)14-2)5-9(11)4-7/h3-5H,1-2H3.
What are the key properties of methyl 3-acetyl-5-chlorobenzoate?
methyl 3-acetyl-5-chlorobenzoate has a molecular weight of 212.63 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyl-5-chlorobenzoate is sourced from PubChem (CID 69166843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).