1-phenoxyindole-3-carbaldehyde

C15H11NO2 — CID 10220341

IUPAC1-phenoxyindole-3-carbaldehyde
SMILESO=Cc1cn(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C15H11NO2/c17-11-12-10-16(15-9-5-4-8-14(12)15)18-13-6-2-1-3-7-13/h1-11H
InChIKeyWRYZWUKTTUYFLP-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.30
Rot. Bonds3

About 1-phenoxyindole-3-carbaldehyde

1-phenoxyindole-3-carbaldehyde (PubChem CID 10220341) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-phenoxyindole-3-carbaldehyde.

Molecular Properties

Compound Name1-phenoxyindole-3-carbaldehyde
PubChem CID10220341
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name1-phenoxyindole-3-carbaldehyde
SMILESO=Cc1cn(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C15H11NO2/c17-11-12-10-16(15-9-5-4-8-14(12)15)18-13-6-2-1-3-7-13/h1-11H
InChIKeyWRYZWUKTTUYFLP-UHFFFAOYSA-N
XLogP3.30
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloroindole-3-carbaldehyde
CID 141112526
1-benzhydrylindole-3-carbaldehyde
CID 18973484
1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde
CID 10083922
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 18973550
1-(2-chlorophenyl)indole-3-carbaldehyde
CID 87889462
2-aminoacetic acid;1-methylindole-3-carbaldehyde
CID 23295599
(3-formylindol-1-yl) 2-acetyloxy-3-methylbenzoate
CID 175399394
1-[2-(3-methylphenoxy)acetyl]indole-3-carbaldehyde
CID 94302397
tert-butyl 3-formylindole-1-carboxylate
CID 2764519
1-(2-phenylsulfanylethyl)indole-3-carbaldehyde
CID 79227626
1-(4-bromophenyl)sulfonylindole-3-carbaldehyde
CID 87179756

Frequently Asked Questions

What is the IUPAC name of 1-phenoxyindole-3-carbaldehyde?
The IUPAC name of 1-phenoxyindole-3-carbaldehyde (CID 10220341) is 1-phenoxyindole-3-carbaldehyde.
What is the SMILES notation for 1-phenoxyindole-3-carbaldehyde?
The canonical SMILES for 1-phenoxyindole-3-carbaldehyde is O=Cc1cn(Oc2ccccc2)c2ccccc12.
What is the InChIKey of 1-phenoxyindole-3-carbaldehyde?
The InChIKey is WRYZWUKTTUYFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-11-12-10-16(15-9-5-4-8-14(12)15)18-13-6-2-1-3-7-13/h1-11H.
What are the key properties of 1-phenoxyindole-3-carbaldehyde?
1-phenoxyindole-3-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyindole-3-carbaldehyde is sourced from PubChem (CID 10220341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).