3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one

C25H25NO3 — CID 2893867

IUPAC3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
SMILESCOc1ccc(C2(c3ccc(OC)c(C)c3)C(=O)N(C)c3ccccc32)cc1C
InChIInChI=1S/C25H25NO3/c1-16-14-18(10-12-22(16)28-4)25(19-11-13-23(29-5)17(2)15-19)20-8-6-7-9-21(20)26(3)24(25)27/h6-15H,1-5H3
InChIKeyODZJXVVIOBHAHH-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.63
Rot. Bonds4

About 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one

3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one (PubChem CID 2893867) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one.

Molecular Properties

Compound Name3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
PubChem CID2893867
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
SMILESCOc1ccc(C2(c3ccc(OC)c(C)c3)C(=O)N(C)c3ccccc32)cc1C
InChIInChI=1S/C25H25NO3/c1-16-14-18(10-12-22(16)28-4)25(19-11-13-23(29-5)17(2)15-19)20-8-6-7-9-21(20)26(3)24(25)27/h6-15H,1-5H3
InChIKeyODZJXVVIOBHAHH-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-3-carboxylate
CID 102310906
4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile
CID 175909189
(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
CID 132608894
1-methoxy-3,3-diphenylindol-2-one
CID 156782915
1-benzyl-3,3-bis(4-hydroxy-3-methylphenyl)indol-2-one
CID 2802496
(3S)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 957706
(3S)-4'-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-methyl-1'-(2-morpholin-4-ylethyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
CID 31647014
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
CID 2972311
methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate
CID 134845126

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one?
The IUPAC name of 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one (CID 2893867) is 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one.
What is the SMILES notation for 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one?
The canonical SMILES for 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one is COc1ccc(C2(c3ccc(OC)c(C)c3)C(=O)N(C)c3ccccc32)cc1C.
What is the InChIKey of 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one?
The InChIKey is ODZJXVVIOBHAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-16-14-18(10-12-22(16)28-4)25(19-11-13-23(29-5)17(2)15-19)20-8-6-7-9-21(20)26(3)24(25)27/h6-15H,1-5H3.
What are the key properties of 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one?
3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one is sourced from PubChem (CID 2893867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).