2-buta-1,3-dien-2-yl-1,4-dichlorobenzene

C10H8Cl2 — CID 123840660

IUPAC2-buta-1,3-dien-2-yl-1,4-dichlorobenzene
SMILESC=CC(=C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2/c1-3-7(2)9-6-8(11)4-5-10(9)12/h3-6H,1-2H2
InChIKeyBFIOQUJPFRBBRH-UHFFFAOYSA-N
MW199.08 g/mol
LogP4.19
Rot. Bonds2

About 2-buta-1,3-dien-2-yl-1,4-dichlorobenzene

2-buta-1,3-dien-2-yl-1,4-dichlorobenzene (PubChem CID 123840660) has the molecular formula C10H8Cl2 and a molecular weight of 199.08 g/mol. Its IUPAC name is 2-buta-1,3-dien-2-yl-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-buta-1,3-dien-2-yl-1,4-dichlorobenzene
PubChem CID123840660
Molecular FormulaC10H8Cl2
Molecular Weight199.08 g/mol
Exact Mass198.00
IUPAC Name2-buta-1,3-dien-2-yl-1,4-dichlorobenzene
SMILESC=CC(=C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2/c1-3-7(2)9-6-8(11)4-5-10(9)12/h3-6H,1-2H2
InChIKeyBFIOQUJPFRBBRH-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-buta-1,3-dien-2-yl-4-chlorophenol
CID 11095231
1,4-dichloro-2-[(Z)-1,2-dichloroethenyl]benzene
CID 66551631
1-(2,5-dichlorophenyl)-3-hydroxyprop-2-en-1-one
CID 23719435
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
2-(2,5-dichlorophenyl)-2-oxoacetamide
CID 139220452
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
ethane;prop-2-enyl 4-[1-(2,5-dichlorophenyl)ethenyl]-N-prop-2-enylbenzenecarboximidothioate
CID 143451230
2-chloro-1-(2,5-dichlorophenyl)-2-hydroxyethanethione
CID 54413380
methane;1,2,4-trichlorobenzene
CID 157397102
CID 131883434
CID 131883434
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
sodium;hydride;1,2,4-trichlorobenzene
CID 173452443

Frequently Asked Questions

What is the IUPAC name of 2-buta-1,3-dien-2-yl-1,4-dichlorobenzene?
The IUPAC name of 2-buta-1,3-dien-2-yl-1,4-dichlorobenzene (CID 123840660) is 2-buta-1,3-dien-2-yl-1,4-dichlorobenzene.
What is the SMILES notation for 2-buta-1,3-dien-2-yl-1,4-dichlorobenzene?
The canonical SMILES for 2-buta-1,3-dien-2-yl-1,4-dichlorobenzene is C=CC(=C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-buta-1,3-dien-2-yl-1,4-dichlorobenzene?
The InChIKey is BFIOQUJPFRBBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2/c1-3-7(2)9-6-8(11)4-5-10(9)12/h3-6H,1-2H2.
What are the key properties of 2-buta-1,3-dien-2-yl-1,4-dichlorobenzene?
2-buta-1,3-dien-2-yl-1,4-dichlorobenzene has a molecular weight of 199.08 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dien-2-yl-1,4-dichlorobenzene is sourced from PubChem (CID 123840660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).