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

C17H15NO3 — CID 167871614

IUPAC3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(-c3cccc(CCO)c3)c2c1
InChIInChI=1S/C17H15NO3/c19-7-6-11-2-1-3-12(8-11)15-10-18-16-5-4-13(17(20)21)9-14(15)16/h1-5,8-10,18-19H,6-7H2,(H,20,21)
InChIKeyMPRMNUSZSWHGRO-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.07
Rot. Bonds4

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

3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid (PubChem CID 167871614) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid
PubChem CID167871614
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(-c3cccc(CCO)c3)c2c1
InChIInChI=1S/C17H15NO3/c19-7-6-11-2-1-3-12(8-11)15-10-18-16-5-4-13(17(20)21)9-14(15)16/h1-5,8-10,18-19H,6-7H2,(H,20,21)
InChIKeyMPRMNUSZSWHGRO-UHFFFAOYSA-N
XLogP3.07
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid?
The IUPAC name of 3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid (CID 167871614) is 3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]cc(-c3cccc(CCO)c3)c2c1.
What is the InChIKey of 3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid?
The InChIKey is MPRMNUSZSWHGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-7-6-11-2-1-3-12(8-11)15-10-18-16-5-4-13(17(20)21)9-14(15)16/h1-5,8-10,18-19H,6-7H2,(H,20,21).
What are the key properties of 3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid?
3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 167871614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).