2-(4-ethylphenyl)-1,3-dimethylideneisoindole

C18H17N — CID 177233701

IUPAC2-(4-ethylphenyl)-1,3-dimethylideneisoindole
SMILESC=c1c2ccccc2c(=C)n1-c1ccc(CC)cc1
InChIInChI=1S/C18H17N/c1-4-15-9-11-16(12-10-15)19-13(2)17-7-5-6-8-18(17)14(19)3/h5-12H,2-4H2,1H3
InChIKeyGUIMQMHTJTYGIB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.01
Rot. Bonds2

About 2-(4-ethylphenyl)-1,3-dimethylideneisoindole

2-(4-ethylphenyl)-1,3-dimethylideneisoindole (PubChem CID 177233701) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1,3-dimethylideneisoindole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1,3-dimethylideneisoindole
PubChem CID177233701
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-(4-ethylphenyl)-1,3-dimethylideneisoindole
SMILESC=c1c2ccccc2c(=C)n1-c1ccc(CC)cc1
InChIInChI=1S/C18H17N/c1-4-15-9-11-16(12-10-15)19-13(2)17-7-5-6-8-18(17)14(19)3/h5-12H,2-4H2,1H3
InChIKeyGUIMQMHTJTYGIB-UHFFFAOYSA-N
XLogP3.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1,3-dimethylideneisoindole?
The IUPAC name of 2-(4-ethylphenyl)-1,3-dimethylideneisoindole (CID 177233701) is 2-(4-ethylphenyl)-1,3-dimethylideneisoindole.
What is the SMILES notation for 2-(4-ethylphenyl)-1,3-dimethylideneisoindole?
The canonical SMILES for 2-(4-ethylphenyl)-1,3-dimethylideneisoindole is C=c1c2ccccc2c(=C)n1-c1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1,3-dimethylideneisoindole?
The InChIKey is GUIMQMHTJTYGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-4-15-9-11-16(12-10-15)19-13(2)17-7-5-6-8-18(17)14(19)3/h5-12H,2-4H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1,3-dimethylideneisoindole?
2-(4-ethylphenyl)-1,3-dimethylideneisoindole has a molecular weight of 247.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1,3-dimethylideneisoindole is sourced from PubChem (CID 177233701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).