3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one

C22H19NO3 — CID 54065813

IUPAC3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one
SMILESCc1cccc(C2(c3cccc(C)c3O)C(=O)Nc3ccccc32)c1O
InChIInChI=1S/C22H19NO3/c1-13-7-5-10-16(19(13)24)22(17-11-6-8-14(2)20(17)25)15-9-3-4-12-18(15)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26)
InChIKeyMCWLLIDJPWDKLO-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.00
Rot. Bonds2

About 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one

3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one (PubChem CID 54065813) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one
PubChem CID54065813
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one
SMILESCc1cccc(C2(c3cccc(C)c3O)C(=O)Nc3ccccc32)c1O
InChIInChI=1S/C22H19NO3/c1-13-7-5-10-16(19(13)24)22(17-11-6-8-14(2)20(17)25)15-9-3-4-12-18(15)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26)
InChIKeyMCWLLIDJPWDKLO-UHFFFAOYSA-N
XLogP4.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one
CID 139722204
3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one
CID 165341869
3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one
CID 11558717
1'-hydroxy-3'-methoxy-2'-methylspiro[1H-indole-3,9'-fluorene]-2-one
CID 132600722
3,3-bis(2-hydroxy-5-propan-2-yloxyphenyl)-1H-indol-2-one
CID 90080203
3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one
CID 86100941
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine
CID 88715344
3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one
CID 57254489
(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
9,9'-spirobi[10H-acridine]
CID 11210173
CID 146949857
CID 146949857
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
CID 11658413

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one?
The IUPAC name of 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one (CID 54065813) is 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one.
What is the SMILES notation for 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one?
The canonical SMILES for 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one is Cc1cccc(C2(c3cccc(C)c3O)C(=O)Nc3ccccc32)c1O.
What is the InChIKey of 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one?
The InChIKey is MCWLLIDJPWDKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-13-7-5-10-16(19(13)24)22(17-11-6-8-14(2)20(17)25)15-9-3-4-12-18(15)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26).
What are the key properties of 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one?
3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one has a molecular weight of 345.40 g/mol, XLogP of 4.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one is sourced from PubChem (CID 54065813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).