4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole

C18H19NO — CID 18428418

IUPAC4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole
SMILESC=CC(c1ccccc1)N1CCc2c(OC)cccc21
InChIInChI=1S/C18H19NO/c1-3-16(14-8-5-4-6-9-14)19-13-12-15-17(19)10-7-11-18(15)20-2/h3-11,16H,1,12-13H2,2H3
InChIKeyGQHNZITZBGPTRY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.98
Rot. Bonds4

About 4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole

4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole (PubChem CID 18428418) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole.

Molecular Properties

Compound Name4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole
PubChem CID18428418
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole
SMILESC=CC(c1ccccc1)N1CCc2c(OC)cccc21
InChIInChI=1S/C18H19NO/c1-3-16(14-8-5-4-6-9-14)19-13-12-15-17(19)10-7-11-18(15)20-2/h3-11,16H,1,12-13H2,2H3
InChIKeyGQHNZITZBGPTRY-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole?
The IUPAC name of 4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole (CID 18428418) is 4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole.
What is the SMILES notation for 4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole?
The canonical SMILES for 4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole is C=CC(c1ccccc1)N1CCc2c(OC)cccc21.
What is the InChIKey of 4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole?
The InChIKey is GQHNZITZBGPTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-16(14-8-5-4-6-9-14)19-13-12-15-17(19)10-7-11-18(15)20-2/h3-11,16H,1,12-13H2,2H3.
What are the key properties of 4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole?
4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole has a molecular weight of 265.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole is sourced from PubChem (CID 18428418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).