3-(2,5-dimethoxyphenyl)propanoyl chloride

C11H13ClO3 — CID 121219721

IUPAC3-(2,5-dimethoxyphenyl)propanoyl chloride
SMILESCOc1ccc(OC)c(CCC(=O)Cl)c1
InChIInChI=1S/C11H13ClO3/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3
InChIKeyXDQIRTSKIHVAPM-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.40
Rot. Bonds5

About 3-(2,5-dimethoxyphenyl)propanoyl chloride

3-(2,5-dimethoxyphenyl)propanoyl chloride (PubChem CID 121219721) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)propanoyl chloride.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)propanoyl chloride
PubChem CID121219721
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name3-(2,5-dimethoxyphenyl)propanoyl chloride
SMILESCOc1ccc(OC)c(CCC(=O)Cl)c1
InChIInChI=1S/C11H13ClO3/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3
InChIKeyXDQIRTSKIHVAPM-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,5-dimethoxyphenyl)propanoyl 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

1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one
CID 102021855
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene
CID 24721947
2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)propanoyl chloride?
The IUPAC name of 3-(2,5-dimethoxyphenyl)propanoyl chloride (CID 121219721) is 3-(2,5-dimethoxyphenyl)propanoyl chloride.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)propanoyl chloride?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)propanoyl chloride is COc1ccc(OC)c(CCC(=O)Cl)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)propanoyl chloride?
The InChIKey is XDQIRTSKIHVAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)propanoyl chloride?
3-(2,5-dimethoxyphenyl)propanoyl chloride has a molecular weight of 228.67 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)propanoyl chloride is sourced from PubChem (CID 121219721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).