4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride

C16H12Cl2O2 — CID 89320746

IUPAC4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride
SMILESCc1cc(Cc2ccc(C(=O)Cl)cc2)ccc1C(=O)Cl
InChIInChI=1S/C16H12Cl2O2/c1-10-8-12(4-7-14(10)16(18)20)9-11-2-5-13(6-3-11)15(17)19/h2-8H,9H2,1H3
InChIKeyRPNOFVZOISBUTE-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.34
Rot. Bonds4

About 4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride

4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride (PubChem CID 89320746) has the molecular formula C16H12Cl2O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is 4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride.

Molecular Properties

Compound Name4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride
PubChem CID89320746
Molecular FormulaC16H12Cl2O2
Molecular Weight307.18 g/mol
Exact Mass306.02
IUPAC Name4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride
SMILESCc1cc(Cc2ccc(C(=O)Cl)cc2)ccc1C(=O)Cl
InChIInChI=1S/C16H12Cl2O2/c1-10-8-12(4-7-14(10)16(18)20)9-11-2-5-13(6-3-11)15(17)19/h2-8H,9H2,1H3
InChIKeyRPNOFVZOISBUTE-UHFFFAOYSA-N
XLogP4.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.34
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 4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride?
The IUPAC name of 4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride (CID 89320746) is 4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride.
What is the SMILES notation for 4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride?
The canonical SMILES for 4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride is Cc1cc(Cc2ccc(C(=O)Cl)cc2)ccc1C(=O)Cl.
What is the InChIKey of 4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride?
The InChIKey is RPNOFVZOISBUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O2/c1-10-8-12(4-7-14(10)16(18)20)9-11-2-5-13(6-3-11)15(17)19/h2-8H,9H2,1H3.
What are the key properties of 4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride?
4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride has a molecular weight of 307.18 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride is sourced from PubChem (CID 89320746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).