2,6-dimethoxy-3-phenylbenzoyl chloride

C15H13ClO3 — CID 141166869

IUPAC2,6-dimethoxy-3-phenylbenzoyl chloride
SMILESCOc1ccc(-c2ccccc2)c(OC)c1C(=O)Cl
InChIInChI=1S/C15H13ClO3/c1-18-12-9-8-11(10-6-4-3-5-7-10)14(19-2)13(12)15(16)17/h3-9H,1-2H3
InChIKeyRXJKTZBHHIJPAW-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.75
Rot. Bonds4

About 2,6-dimethoxy-3-phenylbenzoyl chloride

2,6-dimethoxy-3-phenylbenzoyl chloride (PubChem CID 141166869) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2,6-dimethoxy-3-phenylbenzoyl chloride.

Molecular Properties

Compound Name2,6-dimethoxy-3-phenylbenzoyl chloride
PubChem CID141166869
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2,6-dimethoxy-3-phenylbenzoyl chloride
SMILESCOc1ccc(-c2ccccc2)c(OC)c1C(=O)Cl
InChIInChI=1S/C15H13ClO3/c1-18-12-9-8-11(10-6-4-3-5-7-10)14(19-2)13(12)15(16)17/h3-9H,1-2H3
InChIKeyRXJKTZBHHIJPAW-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dimethoxy-3-phenylbenzoyl 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

2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
2,6-dimethoxy-3-phenylbenzamide
CID 68897697
2,3-dimethoxy-4-phenylbenzoyl chloride
CID 18351428
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
CID 175349946
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
1,3-dimethoxynaphthalene-2-carbonyl chloride
CID 21275659
2-methoxy-1,3-diphenylbenzene
CID 23524590
1-[4-(2,6-dimethoxy-3-phenylphenyl)phenyl]-2,2,2-trifluoroethanone
CID 42638415
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-phenylbenzoyl chloride?
The IUPAC name of 2,6-dimethoxy-3-phenylbenzoyl chloride (CID 141166869) is 2,6-dimethoxy-3-phenylbenzoyl chloride.
What is the SMILES notation for 2,6-dimethoxy-3-phenylbenzoyl chloride?
The canonical SMILES for 2,6-dimethoxy-3-phenylbenzoyl chloride is COc1ccc(-c2ccccc2)c(OC)c1C(=O)Cl.
What is the InChIKey of 2,6-dimethoxy-3-phenylbenzoyl chloride?
The InChIKey is RXJKTZBHHIJPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-12-9-8-11(10-6-4-3-5-7-10)14(19-2)13(12)15(16)17/h3-9H,1-2H3.
What are the key properties of 2,6-dimethoxy-3-phenylbenzoyl chloride?
2,6-dimethoxy-3-phenylbenzoyl chloride has a molecular weight of 276.72 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-phenylbenzoyl chloride is sourced from PubChem (CID 141166869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).