1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde

C16H13NO2 — CID 87772568

IUPAC1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C16H13NO2/c1-11-15(10-18)14-4-2-3-5-16(14)17(11)12-6-8-13(19)9-7-12/h2-10,19H,1H3
InChIKeyHUEUTLFAPCUHHB-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.46
Rot. Bonds2

About 1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde

1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde (PubChem CID 87772568) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
PubChem CID87772568
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C16H13NO2/c1-11-15(10-18)14-4-2-3-5-16(14)17(11)12-6-8-13(19)9-7-12/h2-10,19H,1H3
InChIKeyHUEUTLFAPCUHHB-UHFFFAOYSA-N
XLogP3.46
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxyphenyl)-2-methylindole-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 1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde?
The IUPAC name of 1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde (CID 87772568) is 1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde is Cc1c(C=O)c2ccccc2n1-c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde?
The InChIKey is HUEUTLFAPCUHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-15(10-18)14-4-2-3-5-16(14)17(11)12-6-8-13(19)9-7-12/h2-10,19H,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde?
1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde is sourced from PubChem (CID 87772568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).