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

C17H14ClNO4 — CID 71766100

IUPAC6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCO)cc3)cc12
InChIInChI=1S/C17H14ClNO4/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)10-1-3-11(4-2-10)23-6-5-20/h1-4,7-9,19-20H,5-6H2,(H,21,22)
InChIKeyYGKWXCWHOYVSAU-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.56
Rot. Bonds5

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

6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid (PubChem CID 71766100) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid
PubChem CID71766100
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Name6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCO)cc3)cc12
InChIInChI=1S/C17H14ClNO4/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)10-1-3-11(4-2-10)23-6-5-20/h1-4,7-9,19-20H,5-6H2,(H,21,22)
InChIKeyYGKWXCWHOYVSAU-UHFFFAOYSA-N
XLogP3.56
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

PF-06409577
CID 71748255
6-Chloro-5-[4-(2-methoxyethoxy)phenyl]-1h-indole-3-carboxylic acid
CID 71765798
6-Chloro-5-(4-methoxy-phenyl)-1H-indole-3-carboxylic acid
CID 71765801
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-(hydroxymethyl)phenyl]-1H-indole-3-carboxylic acid
CID 86698571
6-chloro-5-[4-(oxan-2-yl)phenyl]-1H-indole-3-carboxylic acid
CID 89837093
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
CID 71767830
6-chloro-5-(2,6-dimethoxy-3-pyridinyl)-1H-indole-3-carboxylic acid
CID 137651306
6-chloro-5-[4-(2-pyrazol-1-ylethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 71765797
6-chloro-5-[4-(oxetan-2-ylmethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 71765799
6-chloro-5-[4-(3-hydroxypropoxy)phenyl]-1H-indole-3-carboxylic acid
CID 71765802

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid (CID 71766100) is 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCO)cc3)cc12.
What is the InChIKey of 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid?
The InChIKey is YGKWXCWHOYVSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)10-1-3-11(4-2-10)23-6-5-20/h1-4,7-9,19-20H,5-6H2,(H,21,22).
What are the key properties of 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid?
6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid has a molecular weight of 331.76 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 71766100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).