1-chloro-4-[(E)-2-phenylethenyl]benzene

C14H11Cl — CID 5376091

IUPAC1-chloro-4-[(E)-2-phenylethenyl]benzene
SMILESClc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyTTYKTMUIQGPMMH-VOTSOKGWSA-N
MW214.69 g/mol
LogP4.51
Rot. Bonds2

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

1-chloro-4-[(E)-2-phenylethenyl]benzene (PubChem CID 5376091) has the molecular formula C14H11Cl and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-phenylethenyl]benzene
PubChem CID5376091
Molecular FormulaC14H11Cl
Molecular Weight214.69 g/mol
Exact Mass214.05
IUPAC Name1-chloro-4-[(E)-2-phenylethenyl]benzene
SMILESClc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyTTYKTMUIQGPMMH-VOTSOKGWSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-2-phenylethenyl]benzene (CID 5376091) is 1-chloro-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-2-phenylethenyl]benzene is Clc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is TTYKTMUIQGPMMH-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+.
What are the key properties of 1-chloro-4-[(E)-2-phenylethenyl]benzene?
1-chloro-4-[(E)-2-phenylethenyl]benzene has a molecular weight of 214.69 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 5376091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).