methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate

C12H11ClO5 — CID 146010462

IUPACmethyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1C(=O)COC(C)=O
InChIInChI=1S/C12H11ClO5/c1-7(14)18-6-11(15)9-4-3-8(13)5-10(9)12(16)17-2/h3-5H,6H2,1-2H3
InChIKeyHTPRQEGQHKYZCN-UHFFFAOYSA-N
MW270.67 g/mol
LogP1.87
Rot. Bonds4

About methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate

methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate (PubChem CID 146010462) has the molecular formula C12H11ClO5 and a molecular weight of 270.67 g/mol. Its IUPAC name is methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate
PubChem CID146010462
Molecular FormulaC12H11ClO5
Molecular Weight270.67 g/mol
Exact Mass270.03
IUPAC Namemethyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1C(=O)COC(C)=O
InChIInChI=1S/C12H11ClO5/c1-7(14)18-6-11(15)9-4-3-8(13)5-10(9)12(16)17-2/h3-5H,6H2,1-2H3
InChIKeyHTPRQEGQHKYZCN-UHFFFAOYSA-N
XLogP1.87
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
CID 146010495
methyl 5-chloro-2-(5-methoxy-5-oxopentanoyl)benzoate
CID 146010482
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
methyl 5-chloro-2-(2-ethoxy-2-oxoacetyl)benzoate
CID 146010455
1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate
CID 130341905
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
methyl 5-chloro-2-(2-methylpentanoyl)benzoate
CID 146010479
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
[2-(2-acetyloxy-4-methylphenyl)-2-oxoethyl] acetate
CID 175144478
methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
CID 162363879

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate?
The IUPAC name of methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate (CID 146010462) is methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate.
What is the SMILES notation for methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate?
The canonical SMILES for methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1C(=O)COC(C)=O.
What is the InChIKey of methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate?
The InChIKey is HTPRQEGQHKYZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO5/c1-7(14)18-6-11(15)9-4-3-8(13)5-10(9)12(16)17-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate?
methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate has a molecular weight of 270.67 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate is sourced from PubChem (CID 146010462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).