2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde

C15H11NO2 — CID 56970142

IUPAC2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(O)cc2)[nH]c2ccccc12
InChIInChI=1S/C15H11NO2/c17-9-13-12-3-1-2-4-14(12)16-15(13)10-5-7-11(18)8-6-10/h1-9,16,18H
InChIKeyRDWXPWLANYTDNL-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.35
Rot. Bonds2

About 2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde

2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde (PubChem CID 56970142) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde
PubChem CID56970142
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(O)cc2)[nH]c2ccccc12
InChIInChI=1S/C15H11NO2/c17-9-13-12-3-1-2-4-14(12)16-15(13)10-5-7-11(18)8-6-10/h1-9,16,18H
InChIKeyRDWXPWLANYTDNL-UHFFFAOYSA-N
XLogP3.35
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde 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-hydroxyphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde (CID 56970142) is 2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccc(O)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is RDWXPWLANYTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-9-13-12-3-1-2-4-14(12)16-15(13)10-5-7-11(18)8-6-10/h1-9,16,18H.
What are the key properties of 2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde?
2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 56970142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).