1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene

C10H8Cl2 — CID 159942937

IUPAC1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene
SMILESCC=C=C(Cl)c1ccccc1Cl
InChIInChI=1S/C10H8Cl2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h2-4,6-7H,1H3
InChIKeyOBCSRESGLUCDBG-UHFFFAOYSA-N
MW199.08 g/mol
LogP4.09
Rot. Bonds1

About 1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene

1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene (PubChem CID 159942937) has the molecular formula C10H8Cl2 and a molecular weight of 199.08 g/mol. Its IUPAC name is 1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene
PubChem CID159942937
Molecular FormulaC10H8Cl2
Molecular Weight199.08 g/mol
Exact Mass198.00
IUPAC Name1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene
SMILESCC=C=C(Cl)c1ccccc1Cl
InChIInChI=1S/C10H8Cl2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h2-4,6-7H,1H3
InChIKeyOBCSRESGLUCDBG-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene?
The IUPAC name of 1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene (CID 159942937) is 1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene.
What is the SMILES notation for 1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene?
The canonical SMILES for 1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene is CC=C=C(Cl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene?
The InChIKey is OBCSRESGLUCDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h2-4,6-7H,1H3.
What are the key properties of 1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene?
1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene has a molecular weight of 199.08 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene is sourced from PubChem (CID 159942937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).