3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride

C20H12Cl2O2 — CID 87232900

IUPAC3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride
SMILESO=C(Cl)c1ccc(-c2cc(C(=O)Cl)ccc2-c2ccccc2)cc1
InChIInChI=1S/C20H12Cl2O2/c21-19(23)15-8-6-14(7-9-15)18-12-16(20(22)24)10-11-17(18)13-4-2-1-3-5-13/h1-12H
InChIKeyVVIAQFYZHADBHH-UHFFFAOYSA-N
MW355.22 g/mol
LogP5.78
Rot. Bonds4

About 3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride

3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride (PubChem CID 87232900) has the molecular formula C20H12Cl2O2 and a molecular weight of 355.22 g/mol. Its IUPAC name is 3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride.

Molecular Properties

Compound Name3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride
PubChem CID87232900
Molecular FormulaC20H12Cl2O2
Molecular Weight355.22 g/mol
Exact Mass354.02
IUPAC Name3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride
SMILESO=C(Cl)c1ccc(-c2cc(C(=O)Cl)ccc2-c2ccccc2)cc1
InChIInChI=1S/C20H12Cl2O2/c21-19(23)15-8-6-14(7-9-15)18-12-16(20(22)24)10-11-17(18)13-4-2-1-3-5-13/h1-12H
InChIKeyVVIAQFYZHADBHH-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-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride?
The IUPAC name of 3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride (CID 87232900) is 3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride.
What is the SMILES notation for 3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride?
The canonical SMILES for 3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride is O=C(Cl)c1ccc(-c2cc(C(=O)Cl)ccc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride?
The InChIKey is VVIAQFYZHADBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O2/c21-19(23)15-8-6-14(7-9-15)18-12-16(20(22)24)10-11-17(18)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride?
3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl 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-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride is sourced from PubChem (CID 87232900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).