1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde

C18H15NO2 — CID 102910872

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2CC2Cc3ccccc3O2)c1
InChIInChI=1S/C18H15NO2/c20-12-13-5-6-17-14(9-13)7-8-19(17)11-16-10-15-3-1-2-4-18(15)21-16/h1-9,12,16H,10-11H2
InChIKeyVIGBYXRBLQRWHL-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.46
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde (PubChem CID 102910872) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde
PubChem CID102910872
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2CC2Cc3ccccc3O2)c1
InChIInChI=1S/C18H15NO2/c20-12-13-5-6-17-14(9-13)7-8-19(17)11-16-10-15-3-1-2-4-18(15)21-16/h1-9,12,16H,10-11H2
InChIKeyVIGBYXRBLQRWHL-UHFFFAOYSA-N
XLogP3.46
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.46
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-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole
CID 116623048
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde
CID 102910583
1-(cyclohexylmethyl)indole-5-carbaldehyde
CID 102910537
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-fluoroindole
CID 82782530
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine
CID 66364702
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indol-4-yl]methanol
CID 66364392
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66363776
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine
CID 114195982
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 62233193
(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129362542
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
CID 62233023

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde (CID 102910872) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde is O=Cc1ccc2c(ccn2CC2Cc3ccccc3O2)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde?
The InChIKey is VIGBYXRBLQRWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-12-13-5-6-17-14(9-13)7-8-19(17)11-16-10-15-3-1-2-4-18(15)21-16/h1-9,12,16H,10-11H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde has a molecular weight of 277.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde is sourced from PubChem (CID 102910872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).