1-Chloro-3-(2-phenylethenyl)benzene

C14H11Cl — CID 611808

IUPAC1-chloro-3-(2-phenylethenyl)benzene
SMILESC1=CC=C(C=C1)C=CC2=CC(=CC=C2)Cl
InChIInChI=1S/C14H11Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H
InChIKeyLLSLQJAZJCNYQW-UHFFFAOYSA-N
MW214.69 g/mol
LogP5.20
Rot. Bonds2

About 1-Chloro-3-(2-phenylethenyl)benzene

1-Chloro-3-(2-phenylethenyl)benzene (PubChem CID 611808) has the molecular formula C14H11Cl and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-chloro-3-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-Chloro-3-(2-phenylethenyl)benzene
PubChem CID611808
Molecular FormulaC14H11Cl
Molecular Weight214.69 g/mol
Exact Mass214.05
IUPAC Name1-chloro-3-(2-phenylethenyl)benzene
SMILESC1=CC=C(C=C1)C=CC2=CC(=CC=C2)Cl
InChIInChI=1S/C14H11Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H
InChIKeyLLSLQJAZJCNYQW-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity203

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.69
LogP ≤ 55.20
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-3-(2-phenylethenyl)benzene?
The IUPAC name of 1-Chloro-3-(2-phenylethenyl)benzene (CID 611808) is 1-chloro-3-(2-phenylethenyl)benzene.
What is the SMILES notation for 1-Chloro-3-(2-phenylethenyl)benzene?
The canonical SMILES for 1-Chloro-3-(2-phenylethenyl)benzene is C1=CC=C(C=C1)C=CC2=CC(=CC=C2)Cl.
What is the InChIKey of 1-Chloro-3-(2-phenylethenyl)benzene?
The InChIKey is LLSLQJAZJCNYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H.
What are the key properties of 1-Chloro-3-(2-phenylethenyl)benzene?
1-Chloro-3-(2-phenylethenyl)benzene has a molecular weight of 214.69 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Chloro-3-(2-phenylethenyl)benzene is sourced from PubChem (CID 611808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).