2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene

C11H12Cl2 — CID 131994334

IUPAC2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene
SMILESC=CC(C)(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2/c1-4-11(2,3)9-6-5-8(12)7-10(9)13/h4-7H,1H2,2-3H3
InChIKeyADSGDPFIOPRSFH-UHFFFAOYSA-N
MW215.12 g/mol
LogP4.46
Rot. Bonds2

About 2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene

2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene (PubChem CID 131994334) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene
PubChem CID131994334
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene
SMILESC=CC(C)(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2/c1-4-11(2,3)9-6-5-8(12)7-10(9)13/h4-7H,1H2,2-3H3
InChIKeyADSGDPFIOPRSFH-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene?
The IUPAC name of 2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene (CID 131994334) is 2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene?
The canonical SMILES for 2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene is C=CC(C)(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene?
The InChIKey is ADSGDPFIOPRSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c1-4-11(2,3)9-6-5-8(12)7-10(9)13/h4-7H,1H2,2-3H3.
What are the key properties of 2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene?
2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene has a molecular weight of 215.12 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene is sourced from PubChem (CID 131994334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).