5-(3-chlorophenyl)-2-methylbenzoyl chloride

C14H10Cl2O — CID 90329291

IUPAC5-(3-chlorophenyl)-2-methylbenzoyl chloride
SMILESCc1ccc(-c2cccc(Cl)c2)cc1C(=O)Cl
InChIInChI=1S/C14H10Cl2O/c1-9-5-6-11(8-13(9)14(16)17)10-3-2-4-12(15)7-10/h2-8H,1H3
InChIKeyWCRKCIUJSOEVNZ-UHFFFAOYSA-N
MW265.14 g/mol
LogP4.69
Rot. Bonds2

About 5-(3-chlorophenyl)-2-methylbenzoyl chloride

5-(3-chlorophenyl)-2-methylbenzoyl chloride (PubChem CID 90329291) has the molecular formula C14H10Cl2O and a molecular weight of 265.14 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-methylbenzoyl chloride.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-methylbenzoyl chloride
PubChem CID90329291
Molecular FormulaC14H10Cl2O
Molecular Weight265.14 g/mol
Exact Mass264.01
IUPAC Name5-(3-chlorophenyl)-2-methylbenzoyl chloride
SMILESCc1ccc(-c2cccc(Cl)c2)cc1C(=O)Cl
InChIInChI=1S/C14H10Cl2O/c1-9-5-6-11(8-13(9)14(16)17)10-3-2-4-12(15)7-10/h2-8H,1H3
InChIKeyWCRKCIUJSOEVNZ-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-(3-chlorophenyl)-2-methylbenzoyl chloride?
The IUPAC name of 5-(3-chlorophenyl)-2-methylbenzoyl chloride (CID 90329291) is 5-(3-chlorophenyl)-2-methylbenzoyl chloride.
What is the SMILES notation for 5-(3-chlorophenyl)-2-methylbenzoyl chloride?
The canonical SMILES for 5-(3-chlorophenyl)-2-methylbenzoyl chloride is Cc1ccc(-c2cccc(Cl)c2)cc1C(=O)Cl.
What is the InChIKey of 5-(3-chlorophenyl)-2-methylbenzoyl chloride?
The InChIKey is WCRKCIUJSOEVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O/c1-9-5-6-11(8-13(9)14(16)17)10-3-2-4-12(15)7-10/h2-8H,1H3.
What are the key properties of 5-(3-chlorophenyl)-2-methylbenzoyl chloride?
5-(3-chlorophenyl)-2-methylbenzoyl chloride has a molecular weight of 265.14 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-methylbenzoyl chloride is sourced from PubChem (CID 90329291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).