(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone

C18H19NO3 — CID 10447338

IUPAC(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone
SMILESCOC[C@@H]1Cc2ccccc2N1C(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-12-15-11-14-9-5-6-10-16(14)19(15)18(21)17(20)13-7-3-2-4-8-13/h2-10,15,17,20H,11-12H2,1H3/t15-,17-/m0/s1
InChIKeyWOALMOHHVQNWOI-RDJZCZTQSA-N
MW297.35 g/mol
LogP2.32
Rot. Bonds4

About (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone

(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone (PubChem CID 10447338) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone
PubChem CID10447338
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone
SMILESCOC[C@@H]1Cc2ccccc2N1C(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-12-15-11-14-9-5-6-10-16(14)19(15)18(21)17(20)13-7-3-2-4-8-13/h2-10,15,17,20H,11-12H2,1H3/t15-,17-/m0/s1
InChIKeyWOALMOHHVQNWOI-RDJZCZTQSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone (CID 10447338) is (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
The canonical SMILES for (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone is COC[C@@H]1Cc2ccccc2N1C(=O)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
The InChIKey is WOALMOHHVQNWOI-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-12-15-11-14-9-5-6-10-16(14)19(15)18(21)17(20)13-7-3-2-4-8-13/h2-10,15,17,20H,11-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone has a molecular weight of 297.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-phenylethanone is sourced from PubChem (CID 10447338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).