(3R)-3-benzyl-3-hydroxy-1H-indol-2-one

C15H13NO2 — CID 139192718

IUPAC(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@]1(O)Cc1ccccc1
InChIInChI=1S/C15H13NO2/c17-14-15(18,10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-14/h1-9,18H,10H2,(H,16,17)/t15-/m1/s1
InChIKeyMTFDYFJYUVIDRZ-OAHLLOKOSA-N
MW239.27 g/mol
LogP2.07
Rot. Bonds2

About (3R)-3-benzyl-3-hydroxy-1H-indol-2-one

(3R)-3-benzyl-3-hydroxy-1H-indol-2-one (PubChem CID 139192718) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (3R)-3-benzyl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
PubChem CID139192718
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@]1(O)Cc1ccccc1
InChIInChI=1S/C15H13NO2/c17-14-15(18,10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-14/h1-9,18H,10H2,(H,16,17)/t15-/m1/s1
InChIKeyMTFDYFJYUVIDRZ-OAHLLOKOSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one
CID 83034918
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
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3-butyl-3-hydroxy-1H-indol-2-one
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3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one
CID 83034401
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
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3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one
CID 105372992
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
(3R)-3-hydroxy-3-[(E)-2-hydroxy-4-oxopent-2-enyl]-1H-indol-2-one
CID 177471424
10-benzyl-10-hydroxyanthracen-9-one
CID 12660749
(3R)-3-[2-(furan-2-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one
CID 694879
3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one
CID 83035129
(3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one
CID 139200280

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-benzyl-3-hydroxy-1H-indol-2-one (CID 139192718) is (3R)-3-benzyl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-benzyl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-benzyl-3-hydroxy-1H-indol-2-one is O=C1Nc2ccccc2[C@]1(O)Cc1ccccc1.
What is the InChIKey of (3R)-3-benzyl-3-hydroxy-1H-indol-2-one?
The InChIKey is MTFDYFJYUVIDRZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13NO2/c17-14-15(18,10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-14/h1-9,18H,10H2,(H,16,17)/t15-/m1/s1.
What are the key properties of (3R)-3-benzyl-3-hydroxy-1H-indol-2-one?
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one has a molecular weight of 239.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 139192718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).