3-phenylpropyl indole-1-carboxylate

C18H17NO2 — CID 86239500

IUPAC3-phenylpropyl indole-1-carboxylate
SMILESO=C(OCCCc1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C18H17NO2/c20-18(19-13-12-16-10-4-5-11-17(16)19)21-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-13H,6,9,14H2
InChIKeyIXODARBZOFVELK-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.26
Rot. Bonds4

About 3-phenylpropyl indole-1-carboxylate

3-phenylpropyl indole-1-carboxylate (PubChem CID 86239500) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-phenylpropyl indole-1-carboxylate.

Molecular Properties

Compound Name3-phenylpropyl indole-1-carboxylate
PubChem CID86239500
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-phenylpropyl indole-1-carboxylate
SMILESO=C(OCCCc1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C18H17NO2/c20-18(19-13-12-16-10-4-5-11-17(16)19)21-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-13H,6,9,14H2
InChIKeyIXODARBZOFVELK-UHFFFAOYSA-N
XLogP4.26
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl indole-1-carboxylate?
The IUPAC name of 3-phenylpropyl indole-1-carboxylate (CID 86239500) is 3-phenylpropyl indole-1-carboxylate.
What is the SMILES notation for 3-phenylpropyl indole-1-carboxylate?
The canonical SMILES for 3-phenylpropyl indole-1-carboxylate is O=C(OCCCc1ccccc1)n1ccc2ccccc21.
What is the InChIKey of 3-phenylpropyl indole-1-carboxylate?
The InChIKey is IXODARBZOFVELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(19-13-12-16-10-4-5-11-17(16)19)21-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-13H,6,9,14H2.
What are the key properties of 3-phenylpropyl indole-1-carboxylate?
3-phenylpropyl indole-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl indole-1-carboxylate is sourced from PubChem (CID 86239500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).