2-(4-methoxybenzoyl)benzoyl chloride

C15H11ClO3 — CID 13352630

IUPAC2-(4-methoxybenzoyl)benzoyl chloride
SMILESCOc1ccc(C(=O)c2ccccc2C(=O)Cl)cc1
InChIInChI=1S/C15H11ClO3/c1-19-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKeyAIJCDNJTJUUSDY-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.31
Rot. Bonds4

About 2-(4-methoxybenzoyl)benzoyl chloride

2-(4-methoxybenzoyl)benzoyl chloride (PubChem CID 13352630) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-(4-methoxybenzoyl)benzoyl chloride.

Molecular Properties

Compound Name2-(4-methoxybenzoyl)benzoyl chloride
PubChem CID13352630
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name2-(4-methoxybenzoyl)benzoyl chloride
SMILESCOc1ccc(C(=O)c2ccccc2C(=O)Cl)cc1
InChIInChI=1S/C15H11ClO3/c1-19-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKeyAIJCDNJTJUUSDY-UHFFFAOYSA-N
XLogP3.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.31
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

(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 154168626
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7815167
(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
CID 102300318
(2-cyclobutylphenyl)-(4-methoxyphenyl)methanone
CID 114601682

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybenzoyl)benzoyl chloride?
The IUPAC name of 2-(4-methoxybenzoyl)benzoyl chloride (CID 13352630) is 2-(4-methoxybenzoyl)benzoyl chloride.
What is the SMILES notation for 2-(4-methoxybenzoyl)benzoyl chloride?
The canonical SMILES for 2-(4-methoxybenzoyl)benzoyl chloride is COc1ccc(C(=O)c2ccccc2C(=O)Cl)cc1.
What is the InChIKey of 2-(4-methoxybenzoyl)benzoyl chloride?
The InChIKey is AIJCDNJTJUUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c1-19-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3.
What are the key properties of 2-(4-methoxybenzoyl)benzoyl chloride?
2-(4-methoxybenzoyl)benzoyl chloride has a molecular weight of 274.70 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybenzoyl)benzoyl chloride is sourced from PubChem (CID 13352630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).