1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene

C16H15ClO — CID 14744782

IUPAC1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene
SMILESCCOc1ccc(/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO/c1-2-18-16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,2H2,1H3/b4-3+
InChIKeyGLWKRKQZFDCUNG-ONEGZZNKSA-N
MW258.75 g/mol
LogP4.91
Rot. Bonds4

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

1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene (PubChem CID 14744782) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene
PubChem CID14744782
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene
SMILESCCOc1ccc(/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO/c1-2-18-16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,2H2,1H3/b4-3+
InChIKeyGLWKRKQZFDCUNG-ONEGZZNKSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-ethoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene (CID 14744782) is 1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene is CCOc1ccc(/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene?
The InChIKey is GLWKRKQZFDCUNG-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H15ClO/c1-2-18-16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,2H2,1H3/b4-3+.
What are the key properties of 1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene?
1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene has a molecular weight of 258.75 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 14744782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).