2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate

C17H17NO3 — CID 61302855

IUPAC2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate
SMILESO=C(OCCOc1ccccc1)C1Cc2ccccc2N1
InChIInChI=1S/C17H17NO3/c19-17(16-12-13-6-4-5-9-15(13)18-16)21-11-10-20-14-7-2-1-3-8-14/h1-9,16,18H,10-12H2
InChIKeyYKKWNDURXZHMBF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.65
Rot. Bonds5

About 2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate

2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 61302855) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate
PubChem CID61302855
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate
SMILESO=C(OCCOc1ccccc1)C1Cc2ccccc2N1
InChIInChI=1S/C17H17NO3/c19-17(16-12-13-6-4-5-9-15(13)18-16)21-11-10-20-14-7-2-1-3-8-14/h1-9,16,18H,10-12H2
InChIKeyYKKWNDURXZHMBF-UHFFFAOYSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of 2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate (CID 61302855) is 2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for 2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for 2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate is O=C(OCCOc1ccccc1)C1Cc2ccccc2N1.
What is the InChIKey of 2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is YKKWNDURXZHMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(16-12-13-6-4-5-9-15(13)18-16)21-11-10-20-14-7-2-1-3-8-14/h1-9,16,18H,10-12H2.
What are the key properties of 2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate?
2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 61302855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).