(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate

C16H12Cl2O4 — CID 2953632

IUPAC(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate
SMILESCOC(=O)c1cccc(COC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H12Cl2O4/c1-21-15(19)11-4-2-3-10(7-11)9-22-16(20)13-6-5-12(17)8-14(13)18/h2-8H,9H2,1H3
InChIKeyVJLCFHNINGQDMK-UHFFFAOYSA-N
MW339.17 g/mol
LogP4.14
Rot. Bonds4

About (3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate

(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate (PubChem CID 2953632) has the molecular formula C16H12Cl2O4 and a molecular weight of 339.17 g/mol. Its IUPAC name is (3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate
PubChem CID2953632
Molecular FormulaC16H12Cl2O4
Molecular Weight339.17 g/mol
Exact Mass338.01
IUPAC Name(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate
SMILESCOC(=O)c1cccc(COC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H12Cl2O4/c1-21-15(19)11-4-2-3-10(7-11)9-22-16(20)13-6-5-12(17)8-14(13)18/h2-8H,9H2,1H3
InChIKeyVJLCFHNINGQDMK-UHFFFAOYSA-N
XLogP4.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)methyl 2,4-dichlorobenzoate
CID 962047
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
(4-bromophenyl)methyl 2,4-dichlorobenzoate
CID 1218346
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate
CID 78762185
methyl 3-(2-aminoethyl)benzoate
CID 10511548
methyl 3-(3-phenylpropanoyloxymethyl)benzoate
CID 78759984
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
methyl 3-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]benzoate
CID 7757724
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 65124799

Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate?
The IUPAC name of (3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate (CID 2953632) is (3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate.
What is the SMILES notation for (3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate?
The canonical SMILES for (3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate is COC(=O)c1cccc(COC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate?
The InChIKey is VJLCFHNINGQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O4/c1-21-15(19)11-4-2-3-10(7-11)9-22-16(20)13-6-5-12(17)8-14(13)18/h2-8H,9H2,1H3.
What are the key properties of (3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate?
(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate has a molecular weight of 339.17 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate is sourced from PubChem (CID 2953632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).