3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one

C26H25NO4 — CID 46948223

IUPAC3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one
SMILESCOc1ccc(C(C)=O)cc1CC1(C)C(=O)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C26H25NO4/c1-16(28)17-10-12-23(30-3)19(13-17)15-26(2)21-14-18(9-11-22(21)27-25(26)29)20-7-5-6-8-24(20)31-4/h5-14H,15H2,1-4H3,(H,27,29)
InChIKeyURFFEDIUNMMOFH-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.03
Rot. Bonds6

About 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one

3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one (PubChem CID 46948223) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one
PubChem CID46948223
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one
SMILESCOc1ccc(C(C)=O)cc1CC1(C)C(=O)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C26H25NO4/c1-16(28)17-10-12-23(30-3)19(13-17)15-26(2)21-14-18(9-11-22(21)27-25(26)29)20-7-5-6-8-24(20)31-4/h5-14H,15H2,1-4H3,(H,27,29)
InChIKeyURFFEDIUNMMOFH-UHFFFAOYSA-N
XLogP5.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
(5-acetyl-2-methoxyphenyl)methyl thiocyanate
CID 2803530
2-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1,3-dihydrobenzimidazol-2-yl]acetic acid
CID 69465091
(5-acetyl-2-methoxyphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748001
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
CID 6943942
1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
CID 82541177
1-[2-hydroxy-5-(2-methoxyphenyl)phenyl]ethanone
CID 23004893
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4034522
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 46630509

Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one?
The IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one (CID 46948223) is 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one.
What is the SMILES notation for 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one?
The canonical SMILES for 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one is COc1ccc(C(C)=O)cc1CC1(C)C(=O)Nc2ccc(-c3ccccc3OC)cc21.
What is the InChIKey of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one?
The InChIKey is URFFEDIUNMMOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-16(28)17-10-12-23(30-3)19(13-17)15-26(2)21-14-18(9-11-22(21)27-25(26)29)20-7-5-6-8-24(20)31-4/h5-14H,15H2,1-4H3,(H,27,29).
What are the key properties of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one?
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one has a molecular weight of 415.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one is sourced from PubChem (CID 46948223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).