6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid

C16H12ClNO3 — CID 71765801

IUPAC6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid
SMILESCOc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1
InChIInChI=1S/C16H12ClNO3/c1-21-10-4-2-9(3-5-10)11-6-12-13(16(19)20)8-18-15(12)7-14(11)17/h2-8,18H,1H3,(H,19,20)
InChIKeyQFVPMQJTUWDFKR-UHFFFAOYSA-N
MW301.73 g/mol
LogP4.20
Rot. Bonds3

About 6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid

6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid (PubChem CID 71765801) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid
PubChem CID71765801
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid
SMILESCOc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1
InChIInChI=1S/C16H12ClNO3/c1-21-10-4-2-9(3-5-10)11-6-12-13(16(19)20)8-18-15(12)7-14(11)17/h2-8,18H,1H3,(H,19,20)
InChIKeyQFVPMQJTUWDFKR-UHFFFAOYSA-N
XLogP4.20
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
PF-06409577
CID 71748255
6-chloro-5-(6-(dimethylamino)-2-methoxypyridin-3-yl)-1H-indole-3-carboxylic acid
CID 71767991
6-Chloro-2-(4-methoxyphenyl)-5-methyl-1H-indole-3-carbaldehyde
CID 44424416
2-(6-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 54771136
6-Chloro-5-[4-(2-methoxyethoxy)phenyl]-1h-indole-3-carboxylic acid
CID 71765798
6-chloro-5-{4-[3-(morpholin-4-yl)propoxy]phenyl}-1H-indole-3-carboxylic acid
CID 71765951
6-chloro-5-(2'-hydroxybiphenyl-4-yl)-1H-indole-3-carboxylic acid
CID 71765955
6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 71766100
6-Chloro-5-[4-(hydroxymethyl)phenyl]-1H-indole-3-carboxylic acid
CID 86698571
1-(4-chloro-1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-phenylethanone
CID 86728647
1-(6-chloro-1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-phenylethanone
CID 86728746

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid (CID 71765801) is 6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid is COc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1.
What is the InChIKey of 6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid?
The InChIKey is QFVPMQJTUWDFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c1-21-10-4-2-9(3-5-10)11-6-12-13(16(19)20)8-18-15(12)7-14(11)17/h2-8,18H,1H3,(H,19,20).
What are the key properties of 6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid?
6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid has a molecular weight of 301.73 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-methoxyphenyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 71765801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).