3-(1H-indol-5-yl)-4-methoxybenzaldehyde

C16H13NO2 — CID 22391514

IUPAC3-(1H-indol-5-yl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H13NO2/c1-19-16-5-2-11(10-18)8-14(16)12-3-4-15-13(9-12)6-7-17-15/h2-10,17H,1H3
InChIKeyYRNMXIXKOWPVPY-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.66
Rot. Bonds3

About 3-(1H-indol-5-yl)-4-methoxybenzaldehyde

3-(1H-indol-5-yl)-4-methoxybenzaldehyde (PubChem CID 22391514) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-4-methoxybenzaldehyde
PubChem CID22391514
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name3-(1H-indol-5-yl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H13NO2/c1-19-16-5-2-11(10-18)8-14(16)12-3-4-15-13(9-12)6-7-17-15/h2-10,17H,1H3
InChIKeyYRNMXIXKOWPVPY-UHFFFAOYSA-N
XLogP3.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1H-indol-5-yl)-4-methoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
1H-indole-6-carbaldehyde;methoxymethane
CID 142993125
3-(4-acetylphenyl)-4-methoxybenzaldehyde
CID 12987456
3-(4-chloro-3-nitrophenyl)-4-methoxybenzaldehyde
CID 82039651
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467
3-(1H-indol-5-yl)-4,5-dimethoxybenzonitrile
CID 39231418
5-[2-(1H-indol-5-yl)phenyl]-1H-indole
CID 102414263
4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
CID 154700345
3-[7-(5-formyl-2-methoxyphenyl)-9,9-dioctylfluoren-2-yl]-4-methoxybenzaldehyde
CID 58720445
4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde
CID 83663000
4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 22391301

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-4-methoxybenzaldehyde?
The IUPAC name of 3-(1H-indol-5-yl)-4-methoxybenzaldehyde (CID 22391514) is 3-(1H-indol-5-yl)-4-methoxybenzaldehyde.
What is the SMILES notation for 3-(1H-indol-5-yl)-4-methoxybenzaldehyde?
The canonical SMILES for 3-(1H-indol-5-yl)-4-methoxybenzaldehyde is COc1ccc(C=O)cc1-c1ccc2[nH]ccc2c1.
What is the InChIKey of 3-(1H-indol-5-yl)-4-methoxybenzaldehyde?
The InChIKey is YRNMXIXKOWPVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-16-5-2-11(10-18)8-14(16)12-3-4-15-13(9-12)6-7-17-15/h2-10,17H,1H3.
What are the key properties of 3-(1H-indol-5-yl)-4-methoxybenzaldehyde?
3-(1H-indol-5-yl)-4-methoxybenzaldehyde has a molecular weight of 251.28 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-4-methoxybenzaldehyde is sourced from PubChem (CID 22391514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).