3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one

C21H17NO2 — CID 11558717

IUPAC3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one
SMILESCc1cc(C2(c3ccccc3)C(=O)Nc3ccccc32)ccc1O
InChIInChI=1S/C21H17NO2/c1-14-13-16(11-12-19(14)23)21(15-7-3-2-4-8-15)17-9-5-6-10-18(17)22-20(21)24/h2-13,23H,1H3,(H,22,24)
InChIKeyNPTGGFIUJLVTAW-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.99
Rot. Bonds2

About 3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one

3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one (PubChem CID 11558717) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one
PubChem CID11558717
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one
SMILESCc1cc(C2(c3ccccc3)C(=O)Nc3ccccc32)ccc1O
InChIInChI=1S/C21H17NO2/c1-14-13-16(11-12-19(14)23)21(15-7-3-2-4-8-15)17-9-5-6-10-18(17)22-20(21)24/h2-13,23H,1H3,(H,22,24)
InChIKeyNPTGGFIUJLVTAW-UHFFFAOYSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-hydroxy-3-methylphenyl)-3-phenyl-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

3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one
CID 54065813
3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one
CID 57254489
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one;2,4,6-trichloro-1,3,5-triazine
CID 88715344
3,3-bis[4-(diethylamino)phenyl]-1H-indol-2-one
CID 7327706
3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one
CID 165341869
(3S)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-1H-indole-2-thione
CID 101400682
6-benzyl-3,3-bis(3-ethyl-4-hydroxyphenyl)-1H-indol-2-one
CID 67550534
[4-[2-oxo-3-(4-propanoyloxyphenyl)-1H-indol-3-yl]phenyl] propanoate
CID 170900337
1-benzyl-3,3-bis(4-hydroxy-3-methylphenyl)indol-2-one
CID 2802496
3,3-bis(2-hydroxy-5-propan-2-yloxyphenyl)-1H-indol-2-one
CID 90080203
1'-hydroxy-3'-methoxy-2'-methylspiro[1H-indole-3,9'-fluorene]-2-one
CID 132600722
4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 71231529

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one?
The IUPAC name of 3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one (CID 11558717) is 3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one?
The canonical SMILES for 3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one is Cc1cc(C2(c3ccccc3)C(=O)Nc3ccccc32)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one?
The InChIKey is NPTGGFIUJLVTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-14-13-16(11-12-19(14)23)21(15-7-3-2-4-8-15)17-9-5-6-10-18(17)22-20(21)24/h2-13,23H,1H3,(H,22,24).
What are the key properties of 3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one?
3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one has a molecular weight of 315.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methylphenyl)-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 11558717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).