2-oxo-2-(2-phenylphenyl)acetyl chloride

C14H9ClO2 — CID 87185845

IUPAC2-oxo-2-(2-phenylphenyl)acetyl chloride
SMILESO=C(Cl)C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C14H9ClO2/c15-14(17)13(16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyXITXAWCIXITVIR-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.30
Rot. Bonds3

About 2-oxo-2-(2-phenylphenyl)acetyl chloride

2-oxo-2-(2-phenylphenyl)acetyl chloride (PubChem CID 87185845) has the molecular formula C14H9ClO2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-oxo-2-(2-phenylphenyl)acetyl chloride.

Molecular Properties

Compound Name2-oxo-2-(2-phenylphenyl)acetyl chloride
PubChem CID87185845
Molecular FormulaC14H9ClO2
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name2-oxo-2-(2-phenylphenyl)acetyl chloride
SMILESO=C(Cl)C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C14H9ClO2/c15-14(17)13(16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyXITXAWCIXITVIR-UHFFFAOYSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetylene;2-phenylbenzoic acid
CID 67726329
1-(2-chloro-4-methylphenyl)-2-(2-phenylphenyl)ethane-1,2-dione
CID 126202988
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one
CID 141279950
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
(2-phenylphenyl)-pyrrol-1-ylmethanone
CID 166440403
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one
CID 154384434
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
benzoic acid;2-phenylbenzamide
CID 70205361
2,4-dioxo-4-(2-phenylphenyl)butanoic acid
CID 23623031

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-phenylphenyl)acetyl chloride?
The IUPAC name of 2-oxo-2-(2-phenylphenyl)acetyl chloride (CID 87185845) is 2-oxo-2-(2-phenylphenyl)acetyl chloride.
What is the SMILES notation for 2-oxo-2-(2-phenylphenyl)acetyl chloride?
The canonical SMILES for 2-oxo-2-(2-phenylphenyl)acetyl chloride is O=C(Cl)C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-oxo-2-(2-phenylphenyl)acetyl chloride?
The InChIKey is XITXAWCIXITVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO2/c15-14(17)13(16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 2-oxo-2-(2-phenylphenyl)acetyl chloride?
2-oxo-2-(2-phenylphenyl)acetyl chloride has a molecular weight of 244.68 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-phenylphenyl)acetyl chloride is sourced from PubChem (CID 87185845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).