2-[1-(4-chlorophenyl)ethenyl]-1H-indole

C16H12ClN — CID 166072616

IUPAC2-[1-(4-chlorophenyl)ethenyl]-1H-indole
SMILESC=C(c1ccc(Cl)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H12ClN/c1-11(12-6-8-14(17)9-7-12)16-10-13-4-2-3-5-15(13)18-16/h2-10,18H,1H2
InChIKeyJJIXFYGBHWEOJG-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.88
Rot. Bonds2

About 2-[1-(4-chlorophenyl)ethenyl]-1H-indole

2-[1-(4-chlorophenyl)ethenyl]-1H-indole (PubChem CID 166072616) has the molecular formula C16H12ClN and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethenyl]-1H-indole
PubChem CID166072616
Molecular FormulaC16H12ClN
Molecular Weight253.73 g/mol
Exact Mass253.07
IUPAC Name2-[1-(4-chlorophenyl)ethenyl]-1H-indole
SMILESC=C(c1ccc(Cl)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H12ClN/c1-11(12-6-8-14(17)9-7-12)16-10-13-4-2-3-5-15(13)18-16/h2-10,18H,1H2
InChIKeyJJIXFYGBHWEOJG-UHFFFAOYSA-N
XLogP4.88
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
2-[3-(4-chlorophenyl)but-2-enyl]-1H-indole
CID 172832789
2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole
CID 141243954
2-but-1-en-2-yl-1H-indole
CID 23105124
CID 58100929
CID 58100929
1H-indole-2-carbothioic S-acid
CID 4713092
1-[4-(1H-indole-2-carbonyl)phenyl]ethanone
CID 139733709
chloro 1H-indole-2-carboxylate
CID 68813525
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole
CID 155367147
N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
CID 103766830
(4-chlorophenyl)-[4-[4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 68515898
ethane;1H-indole-2-carboxylic acid
CID 91052830

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethenyl]-1H-indole?
The IUPAC name of 2-[1-(4-chlorophenyl)ethenyl]-1H-indole (CID 166072616) is 2-[1-(4-chlorophenyl)ethenyl]-1H-indole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethenyl]-1H-indole?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethenyl]-1H-indole is C=C(c1ccc(Cl)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethenyl]-1H-indole?
The InChIKey is JJIXFYGBHWEOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN/c1-11(12-6-8-14(17)9-7-12)16-10-13-4-2-3-5-15(13)18-16/h2-10,18H,1H2.
What are the key properties of 2-[1-(4-chlorophenyl)ethenyl]-1H-indole?
2-[1-(4-chlorophenyl)ethenyl]-1H-indole has a molecular weight of 253.73 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethenyl]-1H-indole is sourced from PubChem (CID 166072616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).