2-(5-methoxy-1H-indol-3-yl)benzaldehyde

C16H13NO2 — CID 45485466

IUPAC2-(5-methoxy-1H-indol-3-yl)benzaldehyde
SMILESCOc1ccc2[nH]cc(-c3ccccc3C=O)c2c1
InChIInChI=1S/C16H13NO2/c1-19-12-6-7-16-14(8-12)15(9-17-16)13-5-3-2-4-11(13)10-18/h2-10,17H,1H3
InChIKeyRVBWUUCPJRZJOH-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.66
Rot. Bonds3

About 2-(5-methoxy-1H-indol-3-yl)benzaldehyde

2-(5-methoxy-1H-indol-3-yl)benzaldehyde (PubChem CID 45485466) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)benzaldehyde
PubChem CID45485466
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name2-(5-methoxy-1H-indol-3-yl)benzaldehyde
SMILESCOc1ccc2[nH]cc(-c3ccccc3C=O)c2c1
InChIInChI=1S/C16H13NO2/c1-19-12-6-7-16-14(8-12)15(9-17-16)13-5-3-2-4-11(13)10-18/h2-10,17H,1H3
InChIKeyRVBWUUCPJRZJOH-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'}

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Related Compounds

3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
CID 70291499
2-(2-acetyl-5-methoxyphenyl)benzaldehyde
CID 42645680
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
CID 70148912
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
5-methoxy-2-phenanthren-1-ylbenzaldehyde
CID 101454325
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650713

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)benzaldehyde?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)benzaldehyde (CID 45485466) is 2-(5-methoxy-1H-indol-3-yl)benzaldehyde.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)benzaldehyde?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)benzaldehyde is COc1ccc2[nH]cc(-c3ccccc3C=O)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)benzaldehyde?
The InChIKey is RVBWUUCPJRZJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-12-6-7-16-14(8-12)15(9-17-16)13-5-3-2-4-11(13)10-18/h2-10,17H,1H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)benzaldehyde?
2-(5-methoxy-1H-indol-3-yl)benzaldehyde 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 2-(5-methoxy-1H-indol-3-yl)benzaldehyde is sourced from PubChem (CID 45485466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).