3-(4-carbonochloridoylbenzoyl)benzoyl chloride

C15H8Cl2O3 — CID 54548654

IUPAC3-(4-carbonochloridoylbenzoyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(C(=O)c2cccc(C(=O)Cl)c2)cc1
InChIInChI=1S/C15H8Cl2O3/c16-14(19)10-6-4-9(5-7-10)13(18)11-2-1-3-12(8-11)15(17)20/h1-8H
InChIKeyZIIWGRSUAWLHOV-UHFFFAOYSA-N
MW307.13 g/mol
LogP3.68
Rot. Bonds4

About 3-(4-carbonochloridoylbenzoyl)benzoyl chloride

3-(4-carbonochloridoylbenzoyl)benzoyl chloride (PubChem CID 54548654) has the molecular formula C15H8Cl2O3 and a molecular weight of 307.13 g/mol. Its IUPAC name is 3-(4-carbonochloridoylbenzoyl)benzoyl chloride.

Molecular Properties

Compound Name3-(4-carbonochloridoylbenzoyl)benzoyl chloride
PubChem CID54548654
Molecular FormulaC15H8Cl2O3
Molecular Weight307.13 g/mol
Exact Mass305.99
IUPAC Name3-(4-carbonochloridoylbenzoyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(C(=O)c2cccc(C(=O)Cl)c2)cc1
InChIInChI=1S/C15H8Cl2O3/c16-14(19)10-6-4-9(5-7-10)13(18)11-2-1-3-12(8-11)15(17)20/h1-8H
InChIKeyZIIWGRSUAWLHOV-UHFFFAOYSA-N
XLogP3.68
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
CID 88641482
4-acetylbenzoyl chloride;benzene-1,3-dicarbonyl chloride
CID 160876717
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
3-(4-prop-2-ynoxybenzoyl)benzoyl chloride
CID 170346190
(3-carbonochloridoylbenzoyl)chloranium
CID 148573269
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
CID 12023926
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
3-(3-carboxybenzoyl)benzoic acid
CID 754396
(3-carbonochloridoylphenyl)azanium
CID 143753008
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbonochloridoylbenzoyl)benzoyl chloride?
The IUPAC name of 3-(4-carbonochloridoylbenzoyl)benzoyl chloride (CID 54548654) is 3-(4-carbonochloridoylbenzoyl)benzoyl chloride.
What is the SMILES notation for 3-(4-carbonochloridoylbenzoyl)benzoyl chloride?
The canonical SMILES for 3-(4-carbonochloridoylbenzoyl)benzoyl chloride is O=C(Cl)c1ccc(C(=O)c2cccc(C(=O)Cl)c2)cc1.
What is the InChIKey of 3-(4-carbonochloridoylbenzoyl)benzoyl chloride?
The InChIKey is ZIIWGRSUAWLHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O3/c16-14(19)10-6-4-9(5-7-10)13(18)11-2-1-3-12(8-11)15(17)20/h1-8H.
What are the key properties of 3-(4-carbonochloridoylbenzoyl)benzoyl chloride?
3-(4-carbonochloridoylbenzoyl)benzoyl chloride has a molecular weight of 307.13 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbonochloridoylbenzoyl)benzoyl chloride is sourced from PubChem (CID 54548654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).