[4-(3,4-dichlorobenzoyl)phenyl] acetate

C15H10Cl2O3 — CID 24723041

IUPAC[4-(3,4-dichlorobenzoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H10Cl2O3/c1-9(18)20-12-5-2-10(3-6-12)15(19)11-4-7-13(16)14(17)8-11/h2-8H,1H3
InChIKeyYYRMDSHBXDNBAG-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.15
Rot. Bonds3

About [4-(3,4-dichlorobenzoyl)phenyl] acetate

[4-(3,4-dichlorobenzoyl)phenyl] acetate (PubChem CID 24723041) has the molecular formula C15H10Cl2O3 and a molecular weight of 309.15 g/mol. Its IUPAC name is [4-(3,4-dichlorobenzoyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(3,4-dichlorobenzoyl)phenyl] acetate
PubChem CID24723041
Molecular FormulaC15H10Cl2O3
Molecular Weight309.15 g/mol
Exact Mass308.00
IUPAC Name[4-(3,4-dichlorobenzoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H10Cl2O3/c1-9(18)20-12-5-2-10(3-6-12)15(19)11-4-7-13(16)14(17)8-11/h2-8H,1H3
InChIKeyYYRMDSHBXDNBAG-UHFFFAOYSA-N
XLogP4.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
[4-(3,5-dimethylbenzoyl)phenyl] acetate
CID 24723053
(4-carbonochloridoylphenyl) acetate
CID 2756254
(4-chlorophenyl) acetate
CID 13410
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
(4-carbonochloridoylphenyl) 3,4-dichlorobenzoate
CID 91679824
[4-[4-[[(1R)-1-(3,4-dichlorophenyl)ethyl]carbamoyl]phenyl]phenyl] acetate
CID 2533185
[3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate
CID 57324725
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorobenzoyl)phenyl] acetate?
The IUPAC name of [4-(3,4-dichlorobenzoyl)phenyl] acetate (CID 24723041) is [4-(3,4-dichlorobenzoyl)phenyl] acetate.
What is the SMILES notation for [4-(3,4-dichlorobenzoyl)phenyl] acetate?
The canonical SMILES for [4-(3,4-dichlorobenzoyl)phenyl] acetate is CC(=O)Oc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [4-(3,4-dichlorobenzoyl)phenyl] acetate?
The InChIKey is YYRMDSHBXDNBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O3/c1-9(18)20-12-5-2-10(3-6-12)15(19)11-4-7-13(16)14(17)8-11/h2-8H,1H3.
What are the key properties of [4-(3,4-dichlorobenzoyl)phenyl] acetate?
[4-(3,4-dichlorobenzoyl)phenyl] acetate has a molecular weight of 309.15 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorobenzoyl)phenyl] acetate is sourced from PubChem (CID 24723041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).