2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride

C16H15ClO3 — CID 126703654

IUPAC2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride
SMILESCOc1ccc(-c2ccc(CC(=O)Cl)cc2)cc1OC
InChIInChI=1S/C16H15ClO3/c1-19-14-8-7-13(10-15(14)20-2)12-5-3-11(4-6-12)9-16(17)18/h3-8,10H,9H2,1-2H3
InChIKeyCZOWLQUKVZHVEP-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.68
Rot. Bonds5

About 2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride

2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride (PubChem CID 126703654) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride
PubChem CID126703654
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride
SMILESCOc1ccc(-c2ccc(CC(=O)Cl)cc2)cc1OC
InChIInChI=1S/C16H15ClO3/c1-19-14-8-7-13(10-15(14)20-2)12-5-3-11(4-6-12)9-16(17)18/h3-8,10H,9H2,1-2H3
InChIKeyCZOWLQUKVZHVEP-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.68
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

4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
2-(3-methoxy-4-tetradecoxyphenyl)acetyl chloride
CID 19015065
ethyl 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170884969
2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
CID 170892877
3-[4-(3,4-dimethoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887229
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride (CID 126703654) is 2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride is COc1ccc(-c2ccc(CC(=O)Cl)cc2)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride?
The InChIKey is CZOWLQUKVZHVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-14-8-7-13(10-15(14)20-2)12-5-3-11(4-6-12)9-16(17)18/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride?
2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride has a molecular weight of 290.75 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride is sourced from PubChem (CID 126703654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).