3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one

C23H21NO3 — CID 72701542

IUPAC3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(CC(O)c3ccccc3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C23H21NO3/c1-27-18-13-11-17(12-14-18)23(15-21(25)16-7-3-2-4-8-16)19-9-5-6-10-20(19)24-22(23)26/h2-14,21,25H,15H2,1H3,(H,24,26)
InChIKeyKMNWOROBIKVPTE-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.06
Rot. Bonds5

About 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one

3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one (PubChem CID 72701542) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one
PubChem CID72701542
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(CC(O)c3ccccc3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C23H21NO3/c1-27-18-13-11-17(12-14-18)23(15-21(25)16-7-3-2-4-8-16)19-9-5-6-10-20(19)24-22(23)26/h2-14,21,25H,15H2,1H3,(H,24,26)
InChIKeyKMNWOROBIKVPTE-UHFFFAOYSA-N
XLogP4.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-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

Oxyphenisatin
CID 31315
Oxyphenisatin Acetate
CID 8269
2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-
CID 162076
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one
CID 3860640
3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one
CID 25062115
Necrocide 1
CID 46919880
3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1,3-dihydro-2H-indol-2-one
CID 5297649
3-hydroxy-3-(2-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 5297651
3-hydroxy-3-(4-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 5297668
2-(2-methoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 803097
4-(4-methoxyphenyl)-N-(4-methylphenyl)tetrahydro-2H-pyran-4-carboxamide
CID 972348
5-(3-Methoxy-phenyl)-3,3-dimethyl-1,3-dihydro-indol-2-one
CID 9860141

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one (CID 72701542) is 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one is COc1ccc(C2(CC(O)c3ccccc3)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one?
The InChIKey is KMNWOROBIKVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-27-18-13-11-17(12-14-18)23(15-21(25)16-7-3-2-4-8-16)19-9-5-6-10-20(19)24-22(23)26/h2-14,21,25H,15H2,1H3,(H,24,26).
What are the key properties of 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one?
3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one has a molecular weight of 359.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 72701542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).