3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole

C19H19NO2 — CID 44516239

IUPAC3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole
SMILESCOc1cc(/C=C/c2cn(C)c3ccccc23)cc(OC)c1
InChIInChI=1S/C19H19NO2/c1-20-13-15(18-6-4-5-7-19(18)20)9-8-14-10-16(21-2)12-17(11-14)22-3/h4-13H,1-3H3/b9-8+
InChIKeyBUHRDJOFDBKRGE-CMDGGOBGSA-N
MW293.37 g/mol
LogP4.37
Rot. Bonds4

About 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole

3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole (PubChem CID 44516239) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole.

Molecular Properties

Compound Name3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole
PubChem CID44516239
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole
SMILESCOc1cc(/C=C/c2cn(C)c3ccccc23)cc(OC)c1
InChIInChI=1S/C19H19NO2/c1-20-13-15(18-6-4-5-7-19(18)20)9-8-14-10-16(21-2)12-17(11-14)22-3/h4-13H,1-3H3/b9-8+
InChIKeyBUHRDJOFDBKRGE-CMDGGOBGSA-N
XLogP4.37
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole
CID 918978
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359613
9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene
CID 25028120
(E)-N-[2-hydroxy-3-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359996
1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one
CID 89385692
CID 58652160
CID 58652160
(E)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359986
(E)-N-[2-hydroxy-3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359938
1-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 3666180
(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 736407
(E)-4-(1-methylindol-3-yl)but-3-en-2-ol
CID 6852139

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole?
The IUPAC name of 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole (CID 44516239) is 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole.
What is the SMILES notation for 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole?
The canonical SMILES for 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole is COc1cc(/C=C/c2cn(C)c3ccccc23)cc(OC)c1.
What is the InChIKey of 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole?
The InChIKey is BUHRDJOFDBKRGE-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20-13-15(18-6-4-5-7-19(18)20)9-8-14-10-16(21-2)12-17(11-14)22-3/h4-13H,1-3H3/b9-8+.
What are the key properties of 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole?
3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole has a molecular weight of 293.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole is sourced from PubChem (CID 44516239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).