3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride

C20H12Cl2O2 — CID 12023926

IUPAC3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
SMILESO=C(Cl)c1cccc(-c2cccc(-c3cccc(C(=O)Cl)c3)c2)c1
InChIInChI=1S/C20H12Cl2O2/c21-19(23)17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(12-16)20(22)24/h1-12H
InChIKeyMATKWBJQGMQFJD-UHFFFAOYSA-N
MW355.22 g/mol
LogP5.78
Rot. Bonds4

About 3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride

3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride (PubChem CID 12023926) has the molecular formula C20H12Cl2O2 and a molecular weight of 355.22 g/mol. Its IUPAC name is 3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride.

Molecular Properties

Compound Name3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
PubChem CID12023926
Molecular FormulaC20H12Cl2O2
Molecular Weight355.22 g/mol
Exact Mass354.02
IUPAC Name3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
SMILESO=C(Cl)c1cccc(-c2cccc(-c3cccc(C(=O)Cl)c3)c2)c1
InChIInChI=1S/C20H12Cl2O2/c21-19(23)17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(12-16)20(22)24/h1-12H
InChIKeyMATKWBJQGMQFJD-UHFFFAOYSA-N
XLogP5.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.22
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride?
The IUPAC name of 3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride (CID 12023926) is 3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride.
What is the SMILES notation for 3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride?
The canonical SMILES for 3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride is O=C(Cl)c1cccc(-c2cccc(-c3cccc(C(=O)Cl)c3)c2)c1.
What is the InChIKey of 3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride?
The InChIKey is MATKWBJQGMQFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O2/c21-19(23)17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(12-16)20(22)24/h1-12H.
What are the key properties of 3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride?
3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride has a molecular weight of 355.22 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride is sourced from PubChem (CID 12023926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).