3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one

C23H21NO2 — CID 43912760

IUPAC3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one
SMILESCOc1ccc(CC2C(=O)N(c3ccccc3)c3ccccc32)cc1C
InChIInChI=1S/C23H21NO2/c1-16-14-17(12-13-22(16)26-2)15-20-19-10-6-7-11-21(19)24(23(20)25)18-8-4-3-5-9-18/h3-14,20H,15H2,1-2H3
InChIKeyWARQQVVEHNJUPJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.01
Rot. Bonds4

About 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one

3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one (PubChem CID 43912760) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one
PubChem CID43912760
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one
SMILESCOc1ccc(CC2C(=O)N(c3ccccc3)c3ccccc32)cc1C
InChIInChI=1S/C23H21NO2/c1-16-14-17(12-13-22(16)26-2)15-20-19-10-6-7-11-21(19)24(23(20)25)18-8-4-3-5-9-18/h3-14,20H,15H2,1-2H3
InChIKeyWARQQVVEHNJUPJ-UHFFFAOYSA-N
XLogP5.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-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

1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912762
(3S)-3-benzyl-1-phenyl-3H-indol-2-one
CID 26367892
3-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 53044238
3-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-3H-indol-2-one
CID 12043741
(5S)-5-benzyl-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 10623254
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one
CID 123974116
4-benzyl-3-[2-(4-methoxy-3-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 69145722
(3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 98160352
2-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-3H-indol-1-yl]acetic acid
CID 10315838
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one?
The IUPAC name of 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one (CID 43912760) is 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one.
What is the SMILES notation for 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one?
The canonical SMILES for 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one is COc1ccc(CC2C(=O)N(c3ccccc3)c3ccccc32)cc1C.
What is the InChIKey of 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one?
The InChIKey is WARQQVVEHNJUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-16-14-17(12-13-22(16)26-2)15-20-19-10-6-7-11-21(19)24(23(20)25)18-8-4-3-5-9-18/h3-14,20H,15H2,1-2H3.
What are the key properties of 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one?
3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one has a molecular weight of 343.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one is sourced from PubChem (CID 43912760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).