2-[(4-methylphenyl)methoxy]benzoyl chloride

C15H13ClO2 — CID 46779704

IUPAC2-[(4-methylphenyl)methoxy]benzoyl chloride
SMILESCc1ccc(COc2ccccc2C(=O)Cl)cc1
InChIInChI=1S/C15H13ClO2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(16)17/h2-9H,10H2,1H3
InChIKeyOIWSFCXGWJZNMK-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.95
Rot. Bonds4

About 2-[(4-methylphenyl)methoxy]benzoyl chloride

2-[(4-methylphenyl)methoxy]benzoyl chloride (PubChem CID 46779704) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methoxy]benzoyl chloride.

Molecular Properties

Compound Name2-[(4-methylphenyl)methoxy]benzoyl chloride
PubChem CID46779704
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-[(4-methylphenyl)methoxy]benzoyl chloride
SMILESCc1ccc(COc2ccccc2C(=O)Cl)cc1
InChIInChI=1S/C15H13ClO2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(16)17/h2-9H,10H2,1H3
InChIKeyOIWSFCXGWJZNMK-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-methylphenyl)methoxy]benzoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylmethoxybenzoyl chloride
CID 10999355
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
(4-methylphenyl) 2-[(4-chlorophenyl)methoxy]benzoate
CID 7901065
2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186357
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911654
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methoxy]benzoyl chloride?
The IUPAC name of 2-[(4-methylphenyl)methoxy]benzoyl chloride (CID 46779704) is 2-[(4-methylphenyl)methoxy]benzoyl chloride.
What is the SMILES notation for 2-[(4-methylphenyl)methoxy]benzoyl chloride?
The canonical SMILES for 2-[(4-methylphenyl)methoxy]benzoyl chloride is Cc1ccc(COc2ccccc2C(=O)Cl)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methoxy]benzoyl chloride?
The InChIKey is OIWSFCXGWJZNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(16)17/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methoxy]benzoyl chloride?
2-[(4-methylphenyl)methoxy]benzoyl chloride has a molecular weight of 260.72 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methoxy]benzoyl chloride is sourced from PubChem (CID 46779704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).