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

C17H14ClNO3 — CID 71767834

IUPAC6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(CCO)cc3)cc12
InChIInChI=1S/C17H14ClNO3/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)11-3-1-10(2-4-11)5-6-20/h1-4,7-9,19-20H,5-6H2,(H,21,22)
InChIKeyZCTWOZZJNVDFFT-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.72
Rot. Bonds4

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

6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid (PubChem CID 71767834) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid
PubChem CID71767834
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(CCO)cc3)cc12
InChIInChI=1S/C17H14ClNO3/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)11-3-1-10(2-4-11)5-6-20/h1-4,7-9,19-20H,5-6H2,(H,21,22)
InChIKeyZCTWOZZJNVDFFT-UHFFFAOYSA-N
XLogP3.72
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid (CID 71767834) is 6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(CCO)cc3)cc12.
What is the InChIKey of 6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid?
The InChIKey is ZCTWOZZJNVDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)11-3-1-10(2-4-11)5-6-20/h1-4,7-9,19-20H,5-6H2,(H,21,22).
What are the key properties of 6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid?
6-chloro-5-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid has a molecular weight of 315.76 g/mol, XLogP of 3.72, 4 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-hydroxyethyl)phenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 71767834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).