2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole

C19H19NO — CID 5378011

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole
SMILESCOc1ccc(/C=C/C2=Nc3ccccc3C2(C)C)cc1
InChIInChI=1S/C19H19NO/c1-19(2)16-6-4-5-7-17(16)20-18(19)13-10-14-8-11-15(21-3)12-9-14/h4-13H,1-3H3/b13-10+
InChIKeyZHVOTRNJNYBSMP-JLHYYAGUSA-N
MW277.37 g/mol
LogP4.77
Rot. Bonds3

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole

2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole (PubChem CID 5378011) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole
PubChem CID5378011
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole
SMILESCOc1ccc(/C=C/C2=Nc3ccccc3C2(C)C)cc1
InChIInChI=1S/C19H19NO/c1-19(2)16-6-4-5-7-17(16)20-18(19)13-10-14-8-11-15(21-3)12-9-14/h4-13H,1-3H3/b13-10+
InChIKeyZHVOTRNJNYBSMP-JLHYYAGUSA-N
XLogP4.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole (CID 5378011) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole is COc1ccc(/C=C/C2=Nc3ccccc3C2(C)C)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole?
The InChIKey is ZHVOTRNJNYBSMP-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(2)16-6-4-5-7-17(16)20-18(19)13-10-14-8-11-15(21-3)12-9-14/h4-13H,1-3H3/b13-10+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole has a molecular weight of 277.37 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3,3-dimethylindole is sourced from PubChem (CID 5378011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).