2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one

C18H17NO — CID 177233706

IUPAC2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1c1ccc(CC)cc1C
InChIInChI=1S/C18H17NO/c1-4-14-9-10-17(12(2)11-14)19-13(3)15-7-5-6-8-16(15)18(19)20/h5-11H,3-4H2,1-2H3
InChIKeyGWRVZPHOLQVKSQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.19
Rot. Bonds2

About 2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one

2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one (PubChem CID 177233706) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one.

Molecular Properties

Compound Name2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one
PubChem CID177233706
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1c1ccc(CC)cc1C
InChIInChI=1S/C18H17NO/c1-4-14-9-10-17(12(2)11-14)19-13(3)15-7-5-6-8-16(15)18(19)20/h5-11H,3-4H2,1-2H3
InChIKeyGWRVZPHOLQVKSQ-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z)-4-[(4-ethylphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione
CID 7971897
2-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]isoindole-1,3-dione
CID 168517054
3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one
CID 10801387
2-(4-fluoro-2-methylphenyl)isoquinoline-1,3,4-trione
CID 101438439
2-[3-(aminomethyl)phenyl]-3-methylideneisoindol-1-one
CID 63254739
2-[4-(2,2-difluoroethoxy)-2-methylphenyl]isoindole-1,3-dione
CID 168519278
5-(1,3-dioxoisoindol-2-yl)-2,4-dimethylbenzonitrile
CID 168518990
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598509
2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione
CID 58758682
3-ethylfluoren-9-one
CID 11344805
2-(2,3-diethylphenyl)isoindole-1,3-dione
CID 67993045

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one?
The IUPAC name of 2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one (CID 177233706) is 2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one.
What is the SMILES notation for 2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one?
The canonical SMILES for 2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one is C=C1c2ccccc2C(=O)N1c1ccc(CC)cc1C.
What is the InChIKey of 2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one?
The InChIKey is GWRVZPHOLQVKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-4-14-9-10-17(12(2)11-14)19-13(3)15-7-5-6-8-16(15)18(19)20/h5-11H,3-4H2,1-2H3.
What are the key properties of 2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one?
2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one has a molecular weight of 263.34 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one is sourced from PubChem (CID 177233706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).