ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole

C19H21NO — CID 143581960

IUPACethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
SMILESCC.COc1ccc(/C=C/c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H15NO.C2H6/c1-19-16-10-7-13(8-11-16)6-9-15-12-14-4-2-3-5-17(14)18-15;1-2/h2-12,18H,1H3;1-2H3/b9-6+;
InChIKeyBQIBDVCUBRUHJH-MLBSPLJJSA-N
MW279.38 g/mol
LogP5.37
Rot. Bonds3

About ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole

ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole (PubChem CID 143581960) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Nameethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
PubChem CID143581960
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Nameethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
SMILESCC.COc1ccc(/C=C/c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H15NO.C2H6/c1-19-16-10-7-13(8-11-16)6-9-15-12-14-4-2-3-5-17(14)18-15;1-2/h2-12,18H,1H3;1-2H3/b9-6+;
InChIKeyBQIBDVCUBRUHJH-MLBSPLJJSA-N
XLogP5.37
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 67581529
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole
CID 11843963
ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
CID 143924426
2-(4-methoxypenta-1,4-dienyl)-1H-indole
CID 142763611
2-[(E)-2-pyridin-3-ylethenyl]-1H-indole
CID 15012698
2-ethenyl-5-methoxy-1H-indole
CID 11844226
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
2-[(E)-2-(1H-indol-2-yl)ethenyl]-1-methylquinolin-1-ium iodide
CID 118736720
1H-indole;1-methoxy-4-prop-1-enylbenzene
CID 67195673
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
ethane;ethyl (E)-3-(1H-indol-2-yl)prop-2-enoate
CID 145445804

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole?
The IUPAC name of ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole (CID 143581960) is ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole.
What is the SMILES notation for ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole?
The canonical SMILES for ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole is CC.COc1ccc(/C=C/c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole?
The InChIKey is BQIBDVCUBRUHJH-MLBSPLJJSA-N. The full InChI is InChI=1S/C17H15NO.C2H6/c1-19-16-10-7-13(8-11-16)6-9-15-12-14-4-2-3-5-17(14)18-15;1-2/h2-12,18H,1H3;1-2H3/b9-6+;.
What are the key properties of ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole?
ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole has a molecular weight of 279.38 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole is sourced from PubChem (CID 143581960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).