(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one

C18H15NO4 — CID 1118160

IUPAC(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
SMILESCOc1ccc2c(c1)C[C@H]([C@@]1(O)C(=O)Nc3ccccc31)C2=O
InChIInChI=1S/C18H15NO4/c1-23-11-6-7-12-10(8-11)9-14(16(12)20)18(22)13-4-2-3-5-15(13)19-17(18)21/h2-8,14,22H,9H2,1H3,(H,19,21)/t14-,18+/m0/s1
InChIKeyKPDIELDEQWIYKQ-KBXCAEBGSA-N
MW309.32 g/mol
LogP1.89
Rot. Bonds2

About (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one

(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one (PubChem CID 1118160) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
PubChem CID1118160
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
SMILESCOc1ccc2c(c1)C[C@H]([C@@]1(O)C(=O)Nc3ccccc31)C2=O
InChIInChI=1S/C18H15NO4/c1-23-11-6-7-12-10(8-11)9-14(16(12)20)18(22)13-4-2-3-5-15(13)19-17(18)21/h2-8,14,22H,9H2,1H3,(H,19,21)/t14-,18+/m0/s1
InChIKeyKPDIELDEQWIYKQ-KBXCAEBGSA-N
XLogP1.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one (CID 1118160) is (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one is COc1ccc2c(c1)C[C@H]([C@@]1(O)C(=O)Nc3ccccc31)C2=O.
What is the InChIKey of (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one?
The InChIKey is KPDIELDEQWIYKQ-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H15NO4/c1-23-11-6-7-12-10(8-11)9-14(16(12)20)18(22)13-4-2-3-5-15(13)19-17(18)21/h2-8,14,22H,9H2,1H3,(H,19,21)/t14-,18+/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one?
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one has a molecular weight of 309.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one is sourced from PubChem (CID 1118160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).