(3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one

C21H17NO2 — CID 25187452

IUPAC(3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C21H17NO2/c23-20-21(24,17-11-5-2-6-12-17)18-13-7-8-14-19(18)22(20)15-16-9-3-1-4-10-16/h1-14,24H,15H2/t21-/m0/s1
InChIKeyNJFIZXJCCKZPOL-NRFANRHFSA-N
MW315.37 g/mol
LogP3.47
Rot. Bonds3

About (3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one

(3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one (PubChem CID 25187452) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one
PubChem CID25187452
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name(3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C21H17NO2/c23-20-21(24,17-11-5-2-6-12-17)18-13-7-8-14-19(18)22(20)15-16-9-3-1-4-10-16/h1-14,24H,15H2/t21-/m0/s1
InChIKeyNJFIZXJCCKZPOL-NRFANRHFSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one?
The IUPAC name of (3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one (CID 25187452) is (3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one?
The canonical SMILES for (3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one is O=C1N(Cc2ccccc2)c2ccccc2[C@@]1(O)c1ccccc1.
What is the InChIKey of (3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one?
The InChIKey is NJFIZXJCCKZPOL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H17NO2/c23-20-21(24,17-11-5-2-6-12-17)18-13-7-8-14-19(18)22(20)15-16-9-3-1-4-10-16/h1-14,24H,15H2/t21-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one?
(3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one has a molecular weight of 315.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-hydroxy-3-phenylindol-2-one is sourced from PubChem (CID 25187452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).