6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid

C21H14ClNO3 — CID 71765955

IUPAC6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(-c4ccccc4O)cc3)cc12
InChIInChI=1S/C21H14ClNO3/c22-18-10-19-16(17(11-23-19)21(25)26)9-15(18)13-7-5-12(6-8-13)14-3-1-2-4-20(14)24/h1-11,23-24H,(H,25,26)
InChIKeyQZIZUCHLAKADOE-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.56
Rot. Bonds3

About 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid

6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid (PubChem CID 71765955) has the molecular formula C21H14ClNO3 and a molecular weight of 363.80 g/mol. Its IUPAC name is 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid
PubChem CID71765955
Molecular FormulaC21H14ClNO3
Molecular Weight363.80 g/mol
Exact Mass363.07
IUPAC Name6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(-c4ccccc4O)cc3)cc12
InChIInChI=1S/C21H14ClNO3/c22-18-10-19-16(17(11-23-19)21(25)26)9-15(18)13-7-5-12(6-8-13)14-3-1-2-4-20(14)24/h1-11,23-24H,(H,25,26)
InChIKeyQZIZUCHLAKADOE-UHFFFAOYSA-N
XLogP5.56
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid 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 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid (CID 71765955) is 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(-c4ccccc4O)cc3)cc12.
What is the InChIKey of 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid?
The InChIKey is QZIZUCHLAKADOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO3/c22-18-10-19-16(17(11-23-19)21(25)26)9-15(18)13-7-5-12(6-8-13)14-3-1-2-4-20(14)24/h1-11,23-24H,(H,25,26).
What are the key properties of 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid?
6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid has a molecular weight of 363.80 g/mol, XLogP of 5.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 71765955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).