2-[4-(1-methylindol-5-yl)phenyl]acetic acid

C17H15NO2 — CID 82039897

IUPAC2-[4-(1-methylindol-5-yl)phenyl]acetic acid
SMILESCn1ccc2cc(-c3ccc(CC(=O)O)cc3)ccc21
InChIInChI=1S/C17H15NO2/c1-18-9-8-15-11-14(6-7-16(15)18)13-4-2-12(3-5-13)10-17(19)20/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyOPRPJGOGACMUDG-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.47
Rot. Bonds3

About 2-[4-(1-methylindol-5-yl)phenyl]acetic acid

2-[4-(1-methylindol-5-yl)phenyl]acetic acid (PubChem CID 82039897) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-(1-methylindol-5-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methylindol-5-yl)phenyl]acetic acid
PubChem CID82039897
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-[4-(1-methylindol-5-yl)phenyl]acetic acid
SMILESCn1ccc2cc(-c3ccc(CC(=O)O)cc3)ccc21
InChIInChI=1S/C17H15NO2/c1-18-9-8-15-11-14(6-7-16(15)18)13-4-2-12(3-5-13)10-17(19)20/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyOPRPJGOGACMUDG-UHFFFAOYSA-N
XLogP3.47
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(1-methylindol-5-yl)phenyl]acetic 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 2-[4-(1-methylindol-5-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1-methylindol-5-yl)phenyl]acetic acid (CID 82039897) is 2-[4-(1-methylindol-5-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-methylindol-5-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1-methylindol-5-yl)phenyl]acetic acid is Cn1ccc2cc(-c3ccc(CC(=O)O)cc3)ccc21.
What is the InChIKey of 2-[4-(1-methylindol-5-yl)phenyl]acetic acid?
The InChIKey is OPRPJGOGACMUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-9-8-15-11-14(6-7-16(15)18)13-4-2-12(3-5-13)10-17(19)20/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 2-[4-(1-methylindol-5-yl)phenyl]acetic acid?
2-[4-(1-methylindol-5-yl)phenyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylindol-5-yl)phenyl]acetic acid is sourced from PubChem (CID 82039897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).