4-methoxy-1-propan-2-ylindole-2-carbaldehyde

C13H15NO2 — CID 83917293

IUPAC4-methoxy-1-propan-2-ylindole-2-carbaldehyde
SMILESCOc1cccc2c1cc(C=O)n2C(C)C
InChIInChI=1S/C13H15NO2/c1-9(2)14-10(8-15)7-11-12(14)5-4-6-13(11)16-3/h4-9H,1-3H3
InChIKeyXCGMODXNEMCIGA-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.04
Rot. Bonds3

About 4-methoxy-1-propan-2-ylindole-2-carbaldehyde

4-methoxy-1-propan-2-ylindole-2-carbaldehyde (PubChem CID 83917293) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-methoxy-1-propan-2-ylindole-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-1-propan-2-ylindole-2-carbaldehyde
PubChem CID83917293
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-methoxy-1-propan-2-ylindole-2-carbaldehyde
SMILESCOc1cccc2c1cc(C=O)n2C(C)C
InChIInChI=1S/C13H15NO2/c1-9(2)14-10(8-15)7-11-12(14)5-4-6-13(11)16-3/h4-9H,1-3H3
InChIKeyXCGMODXNEMCIGA-UHFFFAOYSA-N
XLogP3.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-propan-2-ylindole-2-carbaldehyde 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

2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194619
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 115006203
6-fluoro-1-propan-2-ylindole-2-carbaldehyde
CID 117122831
propanal;1,2,3-trimethoxybenzene
CID 174975216
5-chloro-1-propan-2-ylindole-2-carbaldehyde
CID 83917759
3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
CID 117120626
4-methoxy-1-methylindol-2-ol
CID 57183322
2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194499
4-methoxy-2-benzofuran
CID 21318708
(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
CID 842421
(5-methoxynaphthalen-1-yl) formate
CID 11447000

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-propan-2-ylindole-2-carbaldehyde?
The IUPAC name of 4-methoxy-1-propan-2-ylindole-2-carbaldehyde (CID 83917293) is 4-methoxy-1-propan-2-ylindole-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-1-propan-2-ylindole-2-carbaldehyde?
The canonical SMILES for 4-methoxy-1-propan-2-ylindole-2-carbaldehyde is COc1cccc2c1cc(C=O)n2C(C)C.
What is the InChIKey of 4-methoxy-1-propan-2-ylindole-2-carbaldehyde?
The InChIKey is XCGMODXNEMCIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)14-10(8-15)7-11-12(14)5-4-6-13(11)16-3/h4-9H,1-3H3.
What are the key properties of 4-methoxy-1-propan-2-ylindole-2-carbaldehyde?
4-methoxy-1-propan-2-ylindole-2-carbaldehyde has a molecular weight of 217.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-propan-2-ylindole-2-carbaldehyde is sourced from PubChem (CID 83917293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).