methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate

C12H11ClO3 — CID 162363879

IUPACmethyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
SMILESCOC(=O)c1ccc(Cl)cc1C(=O)C1CC1
InChIInChI=1S/C12H11ClO3/c1-16-12(15)9-5-4-8(13)6-10(9)11(14)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyLQLDXNVAPUQRMC-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.72
Rot. Bonds3

About methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate

methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate (PubChem CID 162363879) has the molecular formula C12H11ClO3 and a molecular weight of 238.67 g/mol. Its IUPAC name is methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
PubChem CID162363879
Molecular FormulaC12H11ClO3
Molecular Weight238.67 g/mol
Exact Mass238.04
IUPAC Namemethyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
SMILESCOC(=O)c1ccc(Cl)cc1C(=O)C1CC1
InChIInChI=1S/C12H11ClO3/c1-16-12(15)9-5-4-8(13)6-10(9)11(14)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyLQLDXNVAPUQRMC-UHFFFAOYSA-N
XLogP2.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide
CID 10868327
4-chloro-2-methoxycarbonylbenzoic acid
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(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
methyl 5-chloro-2-cyclopropyloxybenzoate
CID 66846877
(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 114975097
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811
methyl 5-chloro-2-piperidin-4-ylbenzoate
CID 59662176
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148
1-O-[(Z)-1-aminoethylideneamino] 2-O-methyl 4-chlorobenzene-1,2-dicarboxylate
CID 130341905
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate?
The IUPAC name of methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate (CID 162363879) is methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate.
What is the SMILES notation for methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate?
The canonical SMILES for methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate is COC(=O)c1ccc(Cl)cc1C(=O)C1CC1.
What is the InChIKey of methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate?
The InChIKey is LQLDXNVAPUQRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3/c1-16-12(15)9-5-4-8(13)6-10(9)11(14)7-2-3-7/h4-7H,2-3H2,1H3.
What are the key properties of methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate?
methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate has a molecular weight of 238.67 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate is sourced from PubChem (CID 162363879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).