1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid

C17H15NO4 — CID 2776400

IUPAC1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)
InChIKeyBSOYWTITVKXHLM-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.84
Rot. Bonds3

About 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid

1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 2776400) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID2776400
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)
InChIKeyBSOYWTITVKXHLM-UHFFFAOYSA-N
XLogP2.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid (CID 2776400) is 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is BSOYWTITVKXHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20).
What are the key properties of 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid?
1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 2776400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).