1-(4-formylphenyl)indole-3-carbaldehyde

C16H11NO2 — CID 1481705

IUPAC1-(4-formylphenyl)indole-3-carbaldehyde
SMILESO=Cc1ccc(-n2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C16H11NO2/c18-10-12-5-7-14(8-6-12)17-9-13(11-19)15-3-1-2-4-16(15)17/h1-11H
InChIKeyBUODRSAVHPDUHP-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-formylphenyl)indole-3-carbaldehyde

1-(4-formylphenyl)indole-3-carbaldehyde (PubChem CID 1481705) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(4-formylphenyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-formylphenyl)indole-3-carbaldehyde
PubChem CID1481705
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name1-(4-formylphenyl)indole-3-carbaldehyde
SMILESO=Cc1ccc(-n2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C16H11NO2/c18-10-12-5-7-14(8-6-12)17-9-13(11-19)15-3-1-2-4-16(15)17/h1-11H
InChIKeyBUODRSAVHPDUHP-UHFFFAOYSA-N
XLogP3.26
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-formylphenyl)indole-3-carbaldehyde?
The IUPAC name of 1-(4-formylphenyl)indole-3-carbaldehyde (CID 1481705) is 1-(4-formylphenyl)indole-3-carbaldehyde.
What is the SMILES notation for 1-(4-formylphenyl)indole-3-carbaldehyde?
The canonical SMILES for 1-(4-formylphenyl)indole-3-carbaldehyde is O=Cc1ccc(-n2cc(C=O)c3ccccc32)cc1.
What is the InChIKey of 1-(4-formylphenyl)indole-3-carbaldehyde?
The InChIKey is BUODRSAVHPDUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-10-12-5-7-14(8-6-12)17-9-13(11-19)15-3-1-2-4-16(15)17/h1-11H.
What are the key properties of 1-(4-formylphenyl)indole-3-carbaldehyde?
1-(4-formylphenyl)indole-3-carbaldehyde has a molecular weight of 249.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formylphenyl)indole-3-carbaldehyde is sourced from PubChem (CID 1481705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).