2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione

C16H13NO3 — CID 622512

IUPAC2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
SMILESCOc1cccc(C)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H13NO3/c1-10-6-5-9-13(20-2)14(10)17-15(18)11-7-3-4-8-12(11)16(17)19/h3-9H,1-2H3
InChIKeyYJKTVULQWMXPRV-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.80
Rot. Bonds2

About 2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione

2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione (PubChem CID 622512) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
PubChem CID622512
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
SMILESCOc1cccc(C)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H13NO3/c1-10-6-5-9-13(20-2)14(10)17-15(18)11-7-3-4-8-12(11)16(17)19/h3-9H,1-2H3
InChIKeyYJKTVULQWMXPRV-UHFFFAOYSA-N
XLogP2.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-3-methoxybenzenecarbothioamide
CID 130744618
2-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-6-methylphenyl]isoindole-1,3-dione
CID 168519660
2-[2-methoxy-6-(2-pyrrolidin-1-ylethyl)phenyl]isoindole-1,3-dione
CID 168519606
7,18-bis(2,6-dimethylphenyl)-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 59194238
2-[4-(2,3-dimethylphenoxy)phenyl]isoindole-1,3-dione
CID 765583
2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione
CID 168519363
1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one
CID 102207415
2-methoxy-5-(2-methylphenyl)cyclohepta-2,4,6-trien-1-one
CID 11715569
2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
2-[4-bromo-2-(hydroxymethyl)-6-methoxyphenyl]isoindole-1,3-dione
CID 168517518
4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
CID 2836357
7,18-bis(2,6-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;ethane
CID 153390184

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione (CID 622512) is 2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione is COc1cccc(C)c1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione?
The InChIKey is YJKTVULQWMXPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-6-5-9-13(20-2)14(10)17-15(18)11-7-3-4-8-12(11)16(17)19/h3-9H,1-2H3.
What are the key properties of 2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione?
2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 622512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).