(3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one

C23H21NO2 — CID 46867566

IUPAC(3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2[C@]1(CO)Cc1ccccc1
InChIInChI=1S/C23H21NO2/c25-17-23(15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)24(22(23)26)16-19-11-5-2-6-12-19/h1-14,25H,15-17H2/t23-/m1/s1
InChIKeySBBWCUXVGWZNGU-HSZRJFAPSA-N
MW343.43 g/mol
LogP3.71
Rot. Bonds5

About (3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one

(3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one (PubChem CID 46867566) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one
PubChem CID46867566
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2[C@]1(CO)Cc1ccccc1
InChIInChI=1S/C23H21NO2/c25-17-23(15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)24(22(23)26)16-19-11-5-2-6-12-19/h1-14,25H,15-17H2/t23-/m1/s1
InChIKeySBBWCUXVGWZNGU-HSZRJFAPSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3-benzyl-1-[3-(dimethylamino)propyl]-2-oxo-3-indolinecarboxylate
CID 23723129
1-Benzyl-3-hydroxy-3-phenyl-1,3-dihydro-indol-2-one
CID 11141594
N-[2-[(4aS,9bS)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]-3-hydroxy-2-phenylpropanamide
CID 44299436
Mls002638091
CID 222715
1-Methyl-3,3-diphenylindolin-2-one
CID 3309404
2-Indolinone, 3-allyl-3-(2-hydroxypropyl)-1-phenyl-
CID 30334
1-acetyl-2,3-dihydro-1H-indole-3-carboxylic acid
CID 14594071
Ethyl 3-benzyl-1-[3-(dimethylamino)propyl]-2-oxoindole-3-carboxylate
CID 4608942
(3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione
CID 162651123
7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindolin-2-one
CID 59745232
3,3-Dibenzyl-1-methylindol-2-one
CID 2825152
1-Benzyl-3,3-diphenyl-1,3-dihydro-2H-indol-2-one
CID 625163

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one?
The IUPAC name of (3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one (CID 46867566) is (3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one.
What is the SMILES notation for (3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one?
The canonical SMILES for (3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one is O=C1N(Cc2ccccc2)c2ccccc2[C@]1(CO)Cc1ccccc1.
What is the InChIKey of (3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one?
The InChIKey is SBBWCUXVGWZNGU-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21NO2/c25-17-23(15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)24(22(23)26)16-19-11-5-2-6-12-19/h1-14,25H,15-17H2/t23-/m1/s1.
What are the key properties of (3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one?
(3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one has a molecular weight of 343.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dibenzyl-3-(hydroxymethyl)indol-2-one is sourced from PubChem (CID 46867566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).