1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione

C17H15NO3 — CID 4730255

IUPAC1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
SMILESCOc1ccccc1CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C17H15NO3/c1-11-7-8-14-13(9-11)16(19)17(20)18(14)10-12-5-3-4-6-15(12)21-2/h3-9H,10H2,1-2H3
InChIKeyKYOOGVGPRWKBDA-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.73
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione

1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione (PubChem CID 4730255) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
PubChem CID4730255
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
SMILESCOc1ccccc1CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C17H15NO3/c1-11-7-8-14-13(9-11)16(19)17(20)18(14)10-12-5-3-4-6-15(12)21-2/h3-9H,10H2,1-2H3
InChIKeyKYOOGVGPRWKBDA-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione
CID 60711521
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione
CID 102616446
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole-2,3-dione
CID 106864247
5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione
CID 18823261
5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
CID 52941359
1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione
CID 9234389
1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-propan-2-ylindole-2,3-dione;dihydrochloride
CID 23363923
5-bromo-1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione
CID 3591808
1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride
CID 23363958
1-[(4-butoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4275201
sodium 1-[(2,5-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonate
CID 129218500
1-[1-[(2-chlorophenyl)methyl]-2,3-dioxoindol-5-yl]-3-[(2-methoxyphenyl)carbamothioyl]urea
CID 53306715

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione (CID 4730255) is 1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione is COc1ccccc1CN1C(=O)C(=O)c2cc(C)ccc21.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione?
The InChIKey is KYOOGVGPRWKBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-7-8-14-13(9-11)16(19)17(20)18(14)10-12-5-3-4-6-15(12)21-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione?
1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione is sourced from PubChem (CID 4730255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).