3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole

C16H14ClNO2 — CID 11033510

IUPAC3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole
SMILESCOc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1
InChIInChI=1S/C16H14ClNO2/c1-19-12-7-14-16(15(8-12)20-2)13(9-18-14)10-3-5-11(17)6-4-10/h3-9,18H,1-2H3
InChIKeyXPLXVPUVMQCTCA-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.51
Rot. Bonds3

About 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole

3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole (PubChem CID 11033510) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole
PubChem CID11033510
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole
SMILESCOc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1
InChIInChI=1S/C16H14ClNO2/c1-19-12-7-14-16(15(8-12)20-2)13(9-18-14)10-3-5-11(17)6-4-10/h3-9,18H,1-2H3
InChIKeyXPLXVPUVMQCTCA-UHFFFAOYSA-N
XLogP4.51
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole 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 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole?
The IUPAC name of 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole (CID 11033510) is 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole.
What is the SMILES notation for 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole?
The canonical SMILES for 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole is COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole?
The InChIKey is XPLXVPUVMQCTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-19-12-7-14-16(15(8-12)20-2)13(9-18-14)10-3-5-11(17)6-4-10/h3-9,18H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole?
3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole has a molecular weight of 287.75 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole is sourced from PubChem (CID 11033510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).