2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone

C11H10ClNO2 — CID 931413

IUPAC2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CCl)c2c1
InChIInChI=1S/C11H10ClNO2/c1-15-7-2-3-10-8(4-7)9(6-13-10)11(14)5-12/h2-4,6,13H,5H2,1H3
InChIKeyQBFUNASXZRQFBJ-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.60
Rot. Bonds3

About 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone

2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone (PubChem CID 931413) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone
PubChem CID931413
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CCl)c2c1
InChIInChI=1S/C11H10ClNO2/c1-15-7-2-3-10-8(4-7)9(6-13-10)11(14)5-12/h2-4,6,13H,5H2,1H3
InChIKeyQBFUNASXZRQFBJ-UHFFFAOYSA-N
XLogP2.60
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone (CID 931413) is 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone is COc1ccc2[nH]cc(C(=O)CCl)c2c1.
What is the InChIKey of 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is QBFUNASXZRQFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-15-7-2-3-10-8(4-7)9(6-13-10)11(14)5-12/h2-4,6,13H,5H2,1H3.
What are the key properties of 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone?
2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 223.66 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 931413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).