1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene

C10H9Cl3 — CID 176684180

IUPAC1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene
SMILESC/C=C(/Cl)c1cc(Cl)cc(Cl)c1C
InChIInChI=1S/C10H9Cl3/c1-3-9(12)8-4-7(11)5-10(13)6(8)2/h3-5H,1-2H3/b9-3+
InChIKeyOQICWABNHMCNTL-YCRREMRBSA-N
MW235.54 g/mol
LogP4.90
Rot. Bonds1

About 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene

1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene (PubChem CID 176684180) has the molecular formula C10H9Cl3 and a molecular weight of 235.54 g/mol. Its IUPAC name is 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene.

Molecular Properties

Compound Name1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene
PubChem CID176684180
Molecular FormulaC10H9Cl3
Molecular Weight235.54 g/mol
Exact Mass233.98
IUPAC Name1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene
SMILESC/C=C(/Cl)c1cc(Cl)cc(Cl)c1C
InChIInChI=1S/C10H9Cl3/c1-3-9(12)8-4-7(11)5-10(13)6(8)2/h3-5H,1-2H3/b9-3+
InChIKeyOQICWABNHMCNTL-YCRREMRBSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N,2-dimethylbenzamide
CID 143932628
ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
2,5-dichloro-1-[(E)-1-chloroprop-1-enyl]-3-[2,5-dichloro-3-[(E)-1-chloroprop-1-enyl]phenyl]sulfonylbenzene
CID 87436822
1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene
CID 145259308
1,5-dichloro-3-methoxy-2-methylbenzene
CID 23462582
1-bromo-3,5-dichloro-2-methylbenzene
CID 10263661
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555
3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline
CID 88827459
5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785
1,4-dichloro-2-[(Z)-1,2-dichloroethenyl]benzene
CID 66551631
1,5-dichloro-2,3,4-trimethylbenzene
CID 21488192
(3,5-dichloro-2-methylphenyl)methanamine
CID 121228387

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene?
The IUPAC name of 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene (CID 176684180) is 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene.
What is the SMILES notation for 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene?
The canonical SMILES for 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene is C/C=C(/Cl)c1cc(Cl)cc(Cl)c1C.
What is the InChIKey of 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene?
The InChIKey is OQICWABNHMCNTL-YCRREMRBSA-N. The full InChI is InChI=1S/C10H9Cl3/c1-3-9(12)8-4-7(11)5-10(13)6(8)2/h3-5H,1-2H3/b9-3+.
What are the key properties of 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene?
1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene has a molecular weight of 235.54 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene is sourced from PubChem (CID 176684180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).