4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride

C22H12Cl2O4 — CID 88641482

IUPAC4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
SMILESO=C(Cl)c1ccc(C(=O)c2cccc(C(=O)c3ccc(C(=O)Cl)cc3)c2)cc1
InChIInChI=1S/C22H12Cl2O4/c23-21(27)15-8-4-13(5-9-15)19(25)17-2-1-3-18(12-17)20(26)14-6-10-16(11-7-14)22(24)28/h1-12H
InChIKeyOKIFHHUBCATEKX-UHFFFAOYSA-N
MW411.24 g/mol
LogP4.91
Rot. Bonds6

About 4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride

4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride (PubChem CID 88641482) has the molecular formula C22H12Cl2O4 and a molecular weight of 411.24 g/mol. Its IUPAC name is 4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride.

Molecular Properties

Compound Name4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
PubChem CID88641482
Molecular FormulaC22H12Cl2O4
Molecular Weight411.24 g/mol
Exact Mass410.01
IUPAC Name4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
SMILESO=C(Cl)c1ccc(C(=O)c2cccc(C(=O)c3ccc(C(=O)Cl)cc3)c2)cc1
InChIInChI=1S/C22H12Cl2O4/c23-21(27)15-8-4-13(5-9-15)19(25)17-2-1-3-18(12-17)20(26)14-6-10-16(11-7-14)22(24)28/h1-12H
InChIKeyOKIFHHUBCATEKX-UHFFFAOYSA-N
XLogP4.91
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.24
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-carbonochloridoylbenzoyl)benzoyl chloride
CID 54548654
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
4-acetylbenzoyl chloride;benzene-1,3-dicarbonyl chloride
CID 160876717
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
3-(4-prop-2-ynoxybenzoyl)benzoyl chloride
CID 170346190
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
3-(3-carboxybenzoyl)benzoic acid
CID 754396
(3-carbonochloridoylbenzoyl)chloranium
CID 148573269
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
benzoyl chloride;selane
CID 174449470
3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride
CID 155435077

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride?
The IUPAC name of 4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride (CID 88641482) is 4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride.
What is the SMILES notation for 4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride?
The canonical SMILES for 4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride is O=C(Cl)c1ccc(C(=O)c2cccc(C(=O)c3ccc(C(=O)Cl)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride?
The InChIKey is OKIFHHUBCATEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2O4/c23-21(27)15-8-4-13(5-9-15)19(25)17-2-1-3-18(12-17)20(26)14-6-10-16(11-7-14)22(24)28/h1-12H.
What are the key properties of 4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride?
4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride has a molecular weight of 411.24 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride is sourced from PubChem (CID 88641482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).