1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone

C17H17NO2 — CID 166439200

IUPAC1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H17NO2/c1-12(19)18-15-10-6-5-9-14(15)17(20)16(18)11-13-7-3-2-4-8-13/h2-10,16-17,20H,11H2,1H3/t16-,17-/m0/s1
InChIKeyWDPNLBZHBXFOKD-IRXDYDNUSA-N
MW267.33 g/mol
LogP2.70
Rot. Bonds2

About 1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone

1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone (PubChem CID 166439200) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone
PubChem CID166439200
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H17NO2/c1-12(19)18-15-10-6-5-9-14(15)17(20)16(18)11-13-7-3-2-4-8-13/h2-10,16-17,20H,11H2,1H3/t16-,17-/m0/s1
InChIKeyWDPNLBZHBXFOKD-IRXDYDNUSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone (CID 166439200) is 1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccccc2[C@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of 1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is WDPNLBZHBXFOKD-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12(19)18-15-10-6-5-9-14(15)17(20)16(18)11-13-7-3-2-4-8-13/h2-10,16-17,20H,11H2,1H3/t16-,17-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone?
1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-benzyl-3-hydroxy-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 166439200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).