3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one

C17H17NO2 — CID 178074922

IUPAC3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one
SMILESCOc1cccc(C2c3cccc(C)c3C(=O)N2C)c1
InChIInChI=1S/C17H17NO2/c1-11-6-4-9-14-15(11)17(19)18(2)16(14)12-7-5-8-13(10-12)20-3/h4-10,16H,1-3H3
InChIKeyWRVRXVCQKYMCEI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.18
Rot. Bonds2

About 3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one

3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one (PubChem CID 178074922) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one
PubChem CID178074922
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one
SMILESCOc1cccc(C2c3cccc(C)c3C(=O)N2C)c1
InChIInChI=1S/C17H17NO2/c1-11-6-4-9-14-15(11)17(19)18(2)16(14)12-7-5-8-13(10-12)20-3/h4-10,16H,1-3H3
InChIKeyWRVRXVCQKYMCEI-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-methylpyrrolidine-2,3-dione
CID 110276946
4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 6490775
(4E)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108578062
(4E)-1-(2,4-dimethylphenyl)-4-[hydroxy-(2-methoxy-3,5-dimethylphenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108577856
1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
CID 141342791
(4E)-1-(2,5-dimethylphenyl)-4-[hydroxy-(2-methoxy-3,5-dimethylphenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108577595
(4E)-1-(2,5-dimethylphenyl)-4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108577583
[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583930
(4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-(3-fluorophenyl)-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108576995
(9R,18S,27R)-9,18,27-tris(3-methoxyphenyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11592706
(4Z)-1-(2,5-dimethylphenyl)-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108577599
(4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-(4-ethylphenyl)-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108577343

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one (CID 178074922) is 3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one is COc1cccc(C2c3cccc(C)c3C(=O)N2C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one?
The InChIKey is WRVRXVCQKYMCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-6-4-9-14-15(11)17(19)18(2)16(14)12-7-5-8-13(10-12)20-3/h4-10,16H,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one?
3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2,7-dimethyl-3H-isoindol-1-one is sourced from PubChem (CID 178074922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).