1-chloro-3-(3-chloroprop-2-enyl)benzene

C9H8Cl2 — CID 173121619

IUPAC1-chloro-3-(3-chloroprop-2-enyl)benzene
SMILESClC=CCc1cccc(Cl)c1
InChIInChI=1S/C9H8Cl2/c10-6-2-4-8-3-1-5-9(11)7-8/h1-3,5-7H,4H2
InChIKeyFXQYVGSSZYYDBH-UHFFFAOYSA-N
MW187.07 g/mol
LogP3.63
Rot. Bonds2

About 1-chloro-3-(3-chloroprop-2-enyl)benzene

1-chloro-3-(3-chloroprop-2-enyl)benzene (PubChem CID 173121619) has the molecular formula C9H8Cl2 and a molecular weight of 187.07 g/mol. Its IUPAC name is 1-chloro-3-(3-chloroprop-2-enyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(3-chloroprop-2-enyl)benzene
PubChem CID173121619
Molecular FormulaC9H8Cl2
Molecular Weight187.07 g/mol
Exact Mass186.00
IUPAC Name1-chloro-3-(3-chloroprop-2-enyl)benzene
SMILESClC=CCc1cccc(Cl)c1
InChIInChI=1S/C9H8Cl2/c10-6-2-4-8-3-1-5-9(11)7-8/h1-3,5-7H,4H2
InChIKeyFXQYVGSSZYYDBH-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloroprop-2-enyl)benzene?
The IUPAC name of 1-chloro-3-(3-chloroprop-2-enyl)benzene (CID 173121619) is 1-chloro-3-(3-chloroprop-2-enyl)benzene.
What is the SMILES notation for 1-chloro-3-(3-chloroprop-2-enyl)benzene?
The canonical SMILES for 1-chloro-3-(3-chloroprop-2-enyl)benzene is ClC=CCc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(3-chloroprop-2-enyl)benzene?
The InChIKey is FXQYVGSSZYYDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2/c10-6-2-4-8-3-1-5-9(11)7-8/h1-3,5-7H,4H2.
What are the key properties of 1-chloro-3-(3-chloroprop-2-enyl)benzene?
1-chloro-3-(3-chloroprop-2-enyl)benzene has a molecular weight of 187.07 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloroprop-2-enyl)benzene is sourced from PubChem (CID 173121619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).