(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate

C15H10Cl2O4 — CID 837741

IUPAC(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
SMILESCOC(=O)c1ccccc1OC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2O4/c1-20-14(18)11-4-2-3-5-13(11)21-15(19)10-7-6-9(16)8-12(10)17/h2-8H,1H3
InChIKeyIBRHRXJZUUIYOA-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.00
Rot. Bonds3

About (2-methoxycarbonylphenyl) 2,4-dichlorobenzoate

(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate (PubChem CID 837741) has the molecular formula C15H10Cl2O4 and a molecular weight of 325.15 g/mol. Its IUPAC name is (2-methoxycarbonylphenyl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
PubChem CID837741
Molecular FormulaC15H10Cl2O4
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
SMILESCOC(=O)c1ccccc1OC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2O4/c1-20-14(18)11-4-2-3-5-13(11)21-15(19)10-7-6-9(16)8-12(10)17/h2-8H,1H3
InChIKeyIBRHRXJZUUIYOA-UHFFFAOYSA-N
XLogP4.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
(5-chloro-2-methoxycarbonylphenoxy)boronic acid
CID 142796908
methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
CID 108745807
1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6424489
[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2,4-dichlorobenzoate
CID 75537571
[1-[[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3739553
methyl 2-(2-chloropropanoyloxy)benzoate
CID 151617516
[4-[[(2-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 4290172

Frequently Asked Questions

What is the IUPAC name of (2-methoxycarbonylphenyl) 2,4-dichlorobenzoate?
The IUPAC name of (2-methoxycarbonylphenyl) 2,4-dichlorobenzoate (CID 837741) is (2-methoxycarbonylphenyl) 2,4-dichlorobenzoate.
What is the SMILES notation for (2-methoxycarbonylphenyl) 2,4-dichlorobenzoate?
The canonical SMILES for (2-methoxycarbonylphenyl) 2,4-dichlorobenzoate is COC(=O)c1ccccc1OC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2-methoxycarbonylphenyl) 2,4-dichlorobenzoate?
The InChIKey is IBRHRXJZUUIYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O4/c1-20-14(18)11-4-2-3-5-13(11)21-15(19)10-7-6-9(16)8-12(10)17/h2-8H,1H3.
What are the key properties of (2-methoxycarbonylphenyl) 2,4-dichlorobenzoate?
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate has a molecular weight of 325.15 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycarbonylphenyl) 2,4-dichlorobenzoate is sourced from PubChem (CID 837741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).