4-chloro-2-[(E)-2-phenylethenyl]-1H-indole

C16H12ClN — CID 118657841

IUPAC4-chloro-2-[(E)-2-phenylethenyl]-1H-indole
SMILESClc1cccc2[nH]c(/C=C/c3ccccc3)cc12
InChIInChI=1S/C16H12ClN/c17-15-7-4-8-16-14(15)11-13(18-16)10-9-12-5-2-1-3-6-12/h1-11,18H/b10-9+
InChIKeyXKNVOGILLKNFRR-MDZDMXLPSA-N
MW253.73 g/mol
LogP4.99
Rot. Bonds2

About 4-chloro-2-[(E)-2-phenylethenyl]-1H-indole

4-chloro-2-[(E)-2-phenylethenyl]-1H-indole (PubChem CID 118657841) has the molecular formula C16H12ClN and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-phenylethenyl]-1H-indole.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-phenylethenyl]-1H-indole
PubChem CID118657841
Molecular FormulaC16H12ClN
Molecular Weight253.73 g/mol
Exact Mass253.07
IUPAC Name4-chloro-2-[(E)-2-phenylethenyl]-1H-indole
SMILESClc1cccc2[nH]c(/C=C/c3ccccc3)cc12
InChIInChI=1S/C16H12ClN/c17-15-7-4-8-16-14(15)11-13(18-16)10-9-12-5-2-1-3-6-12/h1-11,18H/b10-9+
InChIKeyXKNVOGILLKNFRR-MDZDMXLPSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-2-phenylethenyl]-1H-indole?
The IUPAC name of 4-chloro-2-[(E)-2-phenylethenyl]-1H-indole (CID 118657841) is 4-chloro-2-[(E)-2-phenylethenyl]-1H-indole.
What is the SMILES notation for 4-chloro-2-[(E)-2-phenylethenyl]-1H-indole?
The canonical SMILES for 4-chloro-2-[(E)-2-phenylethenyl]-1H-indole is Clc1cccc2[nH]c(/C=C/c3ccccc3)cc12.
What is the InChIKey of 4-chloro-2-[(E)-2-phenylethenyl]-1H-indole?
The InChIKey is XKNVOGILLKNFRR-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H12ClN/c17-15-7-4-8-16-14(15)11-13(18-16)10-9-12-5-2-1-3-6-12/h1-11,18H/b10-9+.
What are the key properties of 4-chloro-2-[(E)-2-phenylethenyl]-1H-indole?
4-chloro-2-[(E)-2-phenylethenyl]-1H-indole has a molecular weight of 253.73 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-2-phenylethenyl]-1H-indole is sourced from PubChem (CID 118657841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).