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

C16H13NO2 — CID 3826063

IUPAC2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCOc1ccc(-c2[nH]c3ccccc3c2C=O)cc1
InChIInChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)16-14(10-18)13-4-2-3-5-15(13)17-16/h2-10,17H,1H3
InChIKeyQIMWZVMNUAWWSJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.66
Rot. Bonds3

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

2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde (PubChem CID 3826063) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
PubChem CID3826063
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCOc1ccc(-c2[nH]c3ccccc3c2C=O)cc1
InChIInChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)16-14(10-18)13-4-2-3-5-15(13)17-16/h2-10,17H,1H3
InChIKeyQIMWZVMNUAWWSJ-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 ≤ 500251.29
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde (CID 3826063) is 2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde is COc1ccc(-c2[nH]c3ccccc3c2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is QIMWZVMNUAWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)16-14(10-18)13-4-2-3-5-15(13)17-16/h2-10,17H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 251.29 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-(4-methoxyphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3826063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).