1,4-dichloro-2-(3-chloroprop-1-enyl)benzene

C9H7Cl3 — CID 169476910

IUPAC1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
SMILESClCC=Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl3/c10-5-1-2-7-6-8(11)3-4-9(7)12/h1-4,6H,5H2
InChIKeyWUBMAOJGQXLRGW-UHFFFAOYSA-N
MW221.51 g/mol
LogP4.25
Rot. Bonds2

About 1,4-dichloro-2-(3-chloroprop-1-enyl)benzene

1,4-dichloro-2-(3-chloroprop-1-enyl)benzene (PubChem CID 169476910) has the molecular formula C9H7Cl3 and a molecular weight of 221.51 g/mol. Its IUPAC name is 1,4-dichloro-2-(3-chloroprop-1-enyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
PubChem CID169476910
Molecular FormulaC9H7Cl3
Molecular Weight221.51 g/mol
Exact Mass219.96
IUPAC Name1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
SMILESClCC=Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl3/c10-5-1-2-7-6-8(11)3-4-9(7)12/h1-4,6H,5H2
InChIKeyWUBMAOJGQXLRGW-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(3-chloroprop-1-enyl)benzonitrile
CID 169477329
4-chloro-3-(3-chloroprop-1-enyl)benzoic acid
CID 169477547
1,4-dichloro-2-prop-1-enylbenzene
CID 70502505
5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene
CID 169478438
1,4-dichloro-2-(2-methoxyethenyl)benzene
CID 68671238
(E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
CID 7014934
2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene
CID 169476893
(E)-4-(2,4-dichlorophenyl)but-3-enal
CID 87333771
1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
CID 79334722
4-(2-bromo-5-chlorophenyl)but-3-enal
CID 170482888
3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde
CID 169477223
5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine
CID 169477081

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(3-chloroprop-1-enyl)benzene?
The IUPAC name of 1,4-dichloro-2-(3-chloroprop-1-enyl)benzene (CID 169476910) is 1,4-dichloro-2-(3-chloroprop-1-enyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(3-chloroprop-1-enyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(3-chloroprop-1-enyl)benzene is ClCC=Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(3-chloroprop-1-enyl)benzene?
The InChIKey is WUBMAOJGQXLRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3/c10-5-1-2-7-6-8(11)3-4-9(7)12/h1-4,6H,5H2.
What are the key properties of 1,4-dichloro-2-(3-chloroprop-1-enyl)benzene?
1,4-dichloro-2-(3-chloroprop-1-enyl)benzene has a molecular weight of 221.51 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(3-chloroprop-1-enyl)benzene is sourced from PubChem (CID 169476910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).