phenyl 2-(1H-indol-3-yl)acetate

C16H13NO2 — CID 2668417

IUPACphenyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)Oc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16(19-13-6-2-1-3-7-13)10-12-11-17-15-9-5-4-8-14(12)15/h1-9,11,17H,10H2
InChIKeyFVQKYZNRXLBAOB-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.32
Rot. Bonds3

About phenyl 2-(1H-indol-3-yl)acetate

phenyl 2-(1H-indol-3-yl)acetate (PubChem CID 2668417) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is phenyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Namephenyl 2-(1H-indol-3-yl)acetate
PubChem CID2668417
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Namephenyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)Oc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16(19-13-6-2-1-3-7-13)10-12-11-17-15-9-5-4-8-14(12)15/h1-9,11,17H,10H2
InChIKeyFVQKYZNRXLBAOB-UHFFFAOYSA-N
XLogP3.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze phenyl 2-(1H-indol-3-yl)acetate 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 phenyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of phenyl 2-(1H-indol-3-yl)acetate (CID 2668417) is phenyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for phenyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for phenyl 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)Oc1ccccc1.
What is the InChIKey of phenyl 2-(1H-indol-3-yl)acetate?
The InChIKey is FVQKYZNRXLBAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(19-13-6-2-1-3-7-13)10-12-11-17-15-9-5-4-8-14(12)15/h1-9,11,17H,10H2.
What are the key properties of phenyl 2-(1H-indol-3-yl)acetate?
phenyl 2-(1H-indol-3-yl)acetate has a molecular weight of 251.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 2668417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).