2-chloro-4-(3-methoxycarbonylphenyl)benzoate

C15H10ClO4- — CID 86307307

IUPAC2-chloro-4-(3-methoxycarbonylphenyl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc(C(=O)[O-])c(Cl)c2)c1
InChIInChI=1S/C15H11ClO4/c1-20-15(19)11-4-2-3-9(7-11)10-5-6-12(14(17)18)13(16)8-10/h2-8H,1H3,(H,17,18)/p-1
InChIKeyVZNJWEPVHKLJCE-UHFFFAOYSA-M
MW289.69 g/mol
LogP2.16
Rot. Bonds3

About 2-chloro-4-(3-methoxycarbonylphenyl)benzoate

2-chloro-4-(3-methoxycarbonylphenyl)benzoate (PubChem CID 86307307) has the molecular formula C15H10ClO4- and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxycarbonylphenyl)benzoate.

Molecular Properties

Compound Name2-chloro-4-(3-methoxycarbonylphenyl)benzoate
PubChem CID86307307
Molecular FormulaC15H10ClO4-
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name2-chloro-4-(3-methoxycarbonylphenyl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc(C(=O)[O-])c(Cl)c2)c1
InChIInChI=1S/C15H11ClO4/c1-20-15(19)11-4-2-3-9(7-11)10-5-6-12(14(17)18)13(16)8-10/h2-8H,1H3,(H,17,18)/p-1
InChIKeyVZNJWEPVHKLJCE-UHFFFAOYSA-M
XLogP2.16
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
methyl 3-(3-chloro-4-ethylphenyl)benzoate
CID 71020930
2-chloro-4-(3-fluorophenyl)benzoate
CID 86307112
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 4-carbamoyl-3-chlorobenzoate
CID 171338558
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-[2-(3-methoxycarbonylphenyl)-3,4-dimethylidenecyclobuten-1-yl]benzoate
CID 164887686
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxycarbonylphenyl)benzoate?
The IUPAC name of 2-chloro-4-(3-methoxycarbonylphenyl)benzoate (CID 86307307) is 2-chloro-4-(3-methoxycarbonylphenyl)benzoate.
What is the SMILES notation for 2-chloro-4-(3-methoxycarbonylphenyl)benzoate?
The canonical SMILES for 2-chloro-4-(3-methoxycarbonylphenyl)benzoate is COC(=O)c1cccc(-c2ccc(C(=O)[O-])c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-(3-methoxycarbonylphenyl)benzoate?
The InChIKey is VZNJWEPVHKLJCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11ClO4/c1-20-15(19)11-4-2-3-9(7-11)10-5-6-12(14(17)18)13(16)8-10/h2-8H,1H3,(H,17,18)/p-1.
What are the key properties of 2-chloro-4-(3-methoxycarbonylphenyl)benzoate?
2-chloro-4-(3-methoxycarbonylphenyl)benzoate has a molecular weight of 289.69 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxycarbonylphenyl)benzoate is sourced from PubChem (CID 86307307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).