1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene

C10H9Cl3 — CID 71365855

IUPAC1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene
SMILESCc1ccccc1CC(Cl)=C(Cl)Cl
InChIInChI=1S/C10H9Cl3/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5H,6H2,1H3
InChIKeyJCGDTLXXGBBLML-UHFFFAOYSA-N
MW235.54 g/mol
LogP4.42
Rot. Bonds2

About 1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene

1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene (PubChem CID 71365855) has the molecular formula C10H9Cl3 and a molecular weight of 235.54 g/mol. Its IUPAC name is 1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene
PubChem CID71365855
Molecular FormulaC10H9Cl3
Molecular Weight235.54 g/mol
Exact Mass233.98
IUPAC Name1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene
SMILESCc1ccccc1CC(Cl)=C(Cl)Cl
InChIInChI=1S/C10H9Cl3/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5H,6H2,1H3
InChIKeyJCGDTLXXGBBLML-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene?
The IUPAC name of 1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene (CID 71365855) is 1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene.
What is the SMILES notation for 1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene?
The canonical SMILES for 1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene is Cc1ccccc1CC(Cl)=C(Cl)Cl.
What is the InChIKey of 1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene?
The InChIKey is JCGDTLXXGBBLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene?
1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene has a molecular weight of 235.54 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene is sourced from PubChem (CID 71365855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).