[2-(2,3-dichlorobenzoyl)phenyl] acetate

C15H10Cl2O3 — CID 24722904

IUPAC[2-(2,3-dichlorobenzoyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2O3/c1-9(18)20-13-8-3-2-5-10(13)15(19)11-6-4-7-12(16)14(11)17/h2-8H,1H3
InChIKeyUEVGKMFIPNOAAN-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.15
Rot. Bonds3

About [2-(2,3-dichlorobenzoyl)phenyl] acetate

[2-(2,3-dichlorobenzoyl)phenyl] acetate (PubChem CID 24722904) has the molecular formula C15H10Cl2O3 and a molecular weight of 309.15 g/mol. Its IUPAC name is [2-(2,3-dichlorobenzoyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(2,3-dichlorobenzoyl)phenyl] acetate
PubChem CID24722904
Molecular FormulaC15H10Cl2O3
Molecular Weight309.15 g/mol
Exact Mass308.00
IUPAC Name[2-(2,3-dichlorobenzoyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2O3/c1-9(18)20-13-8-3-2-5-10(13)15(19)11-6-4-7-12(16)14(11)17/h2-8H,1H3
InChIKeyUEVGKMFIPNOAAN-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

[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
[2-(2,3,4,5,6-pentafluorobenzoyl)phenyl] acetate
CID 24722923
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
[2-(4-tert-butylbenzoyl)phenyl] acetate
CID 24722885
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
2-[2-(2-acetyloxybenzoyl)phenyl]propanoic acid
CID 68528667
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
(2-acetyloxybenzoyl)-sulfanylazanium
CID 173416352
[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
CID 67201726

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichlorobenzoyl)phenyl] acetate?
The IUPAC name of [2-(2,3-dichlorobenzoyl)phenyl] acetate (CID 24722904) is [2-(2,3-dichlorobenzoyl)phenyl] acetate.
What is the SMILES notation for [2-(2,3-dichlorobenzoyl)phenyl] acetate?
The canonical SMILES for [2-(2,3-dichlorobenzoyl)phenyl] acetate is CC(=O)Oc1ccccc1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichlorobenzoyl)phenyl] acetate?
The InChIKey is UEVGKMFIPNOAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O3/c1-9(18)20-13-8-3-2-5-10(13)15(19)11-6-4-7-12(16)14(11)17/h2-8H,1H3.
What are the key properties of [2-(2,3-dichlorobenzoyl)phenyl] acetate?
[2-(2,3-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 [2-(2,3-dichlorobenzoyl)phenyl] acetate is sourced from PubChem (CID 24722904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).