(4-carbonochloridoylphenyl) 3,4-dichlorobenzoate

C14H7Cl3O3 — CID 91679824

IUPAC(4-carbonochloridoylphenyl) 3,4-dichlorobenzoate
SMILESO=C(Cl)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H7Cl3O3/c15-11-6-3-9(7-12(11)16)14(19)20-10-4-1-8(2-5-10)13(17)18/h1-7H
InChIKeyWKRZOEYINNNPGU-UHFFFAOYSA-N
MW329.57 g/mol
LogP4.59
Rot. Bonds3

About (4-carbonochloridoylphenyl) 3,4-dichlorobenzoate

(4-carbonochloridoylphenyl) 3,4-dichlorobenzoate (PubChem CID 91679824) has the molecular formula C14H7Cl3O3 and a molecular weight of 329.57 g/mol. Its IUPAC name is (4-carbonochloridoylphenyl) 3,4-dichlorobenzoate.

Molecular Properties

Compound Name(4-carbonochloridoylphenyl) 3,4-dichlorobenzoate
PubChem CID91679824
Molecular FormulaC14H7Cl3O3
Molecular Weight329.57 g/mol
Exact Mass327.95
IUPAC Name(4-carbonochloridoylphenyl) 3,4-dichlorobenzoate
SMILESO=C(Cl)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H7Cl3O3/c15-11-6-3-9(7-12(11)16)14(19)20-10-4-1-8(2-5-10)13(17)18/h1-7H
InChIKeyWKRZOEYINNNPGU-UHFFFAOYSA-N
XLogP4.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] 3,4-dichlorobenzoate
CID 3710462
[4-(3,4-dichlorobenzoyl)phenyl] acetate
CID 24723041
(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate
CID 17391291
(4-carbonochloridoylphenyl) acetate
CID 2756254
4-O-(3,4-dichlorophenyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730763
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
(4-bromo-2,6-dimethylphenyl) 3,4-dichlorobenzoate
CID 19181611
[4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate
CID 3837309
(4-ethyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate
CID 7925911
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063

Frequently Asked Questions

What is the IUPAC name of (4-carbonochloridoylphenyl) 3,4-dichlorobenzoate?
The IUPAC name of (4-carbonochloridoylphenyl) 3,4-dichlorobenzoate (CID 91679824) is (4-carbonochloridoylphenyl) 3,4-dichlorobenzoate.
What is the SMILES notation for (4-carbonochloridoylphenyl) 3,4-dichlorobenzoate?
The canonical SMILES for (4-carbonochloridoylphenyl) 3,4-dichlorobenzoate is O=C(Cl)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (4-carbonochloridoylphenyl) 3,4-dichlorobenzoate?
The InChIKey is WKRZOEYINNNPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3O3/c15-11-6-3-9(7-12(11)16)14(19)20-10-4-1-8(2-5-10)13(17)18/h1-7H.
What are the key properties of (4-carbonochloridoylphenyl) 3,4-dichlorobenzoate?
(4-carbonochloridoylphenyl) 3,4-dichlorobenzoate has a molecular weight of 329.57 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbonochloridoylphenyl) 3,4-dichlorobenzoate is sourced from PubChem (CID 91679824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).