[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene

C16H14Cl2 — CID 10588550

IUPAC[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
SMILESCl/C(Cc1ccccc1)=C(/Cl)Cc1ccccc1
InChIInChI=1S/C16H14Cl2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2/b16-15+
InChIKeyLZHHYHGFFMCLJH-FOCLMDBBSA-N
MW277.19 g/mol
LogP5.16
Rot. Bonds4

About [(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene

[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene (PubChem CID 10588550) has the molecular formula C16H14Cl2 and a molecular weight of 277.19 g/mol. Its IUPAC name is [(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
PubChem CID10588550
Molecular FormulaC16H14Cl2
Molecular Weight277.19 g/mol
Exact Mass276.05
IUPAC Name[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
SMILESCl/C(Cc1ccccc1)=C(/Cl)Cc1ccccc1
InChIInChI=1S/C16H14Cl2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2/b16-15+
InChIKeyLZHHYHGFFMCLJH-FOCLMDBBSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.19
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,4,4,4-pentachlorobut-2-enylbenzene
CID 141014892
zinc;2-phenylacetyl chloride;dichloride
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[(E)-2-chloro-3-iodoprop-2-enyl]benzene
CID 88614127
2-phenylethanehydrazonoyl chloride
CID 130133469
[2-(dichloromethylidene)-3-methylbutyl]benzene
CID 173308340
2-(4-benzylphenyl)acetyl chloride
CID 18187385
1,3-diphenyl(213C)propan-2-one
CID 100945080
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
CID 98512768
1,3-diphenylpropan-2-ylidenezirconium(2+)
CID 22171883
chloro hypochlorite;2-phenylacetic acid
CID 174297587
tris(2-phenylacetic acid);rhodium
CID 11168112

Frequently Asked Questions

What is the IUPAC name of [(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene?
The IUPAC name of [(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene (CID 10588550) is [(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene.
What is the SMILES notation for [(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene?
The canonical SMILES for [(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene is Cl/C(Cc1ccccc1)=C(/Cl)Cc1ccccc1.
What is the InChIKey of [(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene?
The InChIKey is LZHHYHGFFMCLJH-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H14Cl2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2/b16-15+.
What are the key properties of [(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene?
[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene has a molecular weight of 277.19 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene is sourced from PubChem (CID 10588550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).