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

C9H7Cl3 — CID 79334722

IUPAC1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
SMILESClCC=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl3/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1-5H,6H2
InChIKeyPTFIGJZAWQYYTF-UHFFFAOYSA-N
MW221.51 g/mol
LogP4.25
Rot. Bonds2

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

1,2-dichloro-3-(3-chloroprop-1-enyl)benzene (PubChem CID 79334722) has the molecular formula C9H7Cl3 and a molecular weight of 221.51 g/mol. Its IUPAC name is 1,2-dichloro-3-(3-chloroprop-1-enyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
PubChem CID79334722
Molecular FormulaC9H7Cl3
Molecular Weight221.51 g/mol
Exact Mass219.96
IUPAC Name1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
SMILESClCC=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl3/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1-5H,6H2
InChIKeyPTFIGJZAWQYYTF-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-(2,3-dichlorophenyl)but-3-ene-1-thiol
CID 170477864
(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
CID 173173515
1,7-bis(2,3-dichlorophenyl)hepta-1,6-dien-4-one
CID 141017477
5-(2,3-dichlorophenyl)pent-4-en-1-ol
CID 91520067
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene
CID 131874054
[(E)-2-(2,3-dichlorophenyl)ethenyl]boronic acid
CID 81222802
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
CID 169476910
2-chloro-1-(3-chloroprop-1-enyl)-4-methylbenzene
CID 169476893
1-but-1-enyl-3-chloro-2-methylbenzene
CID 143069251

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(3-chloroprop-1-enyl)benzene?
The IUPAC name of 1,2-dichloro-3-(3-chloroprop-1-enyl)benzene (CID 79334722) is 1,2-dichloro-3-(3-chloroprop-1-enyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(3-chloroprop-1-enyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(3-chloroprop-1-enyl)benzene is ClCC=Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(3-chloroprop-1-enyl)benzene?
The InChIKey is PTFIGJZAWQYYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1-5H,6H2.
What are the key properties of 1,2-dichloro-3-(3-chloroprop-1-enyl)benzene?
1,2-dichloro-3-(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 1,2-dichloro-3-(3-chloroprop-1-enyl)benzene is sourced from PubChem (CID 79334722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).