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

C11H12Cl2 — CID 24722016

IUPAC1,2-dichloro-4-(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2/c1-8(2)3-4-9-5-6-10(12)11(13)7-9/h5-7H,1,3-4H2,2H3
InChIKeyNVEOKVBXFPRDLZ-UHFFFAOYSA-N
MW215.12 g/mol
LogP4.50
Rot. Bonds3

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

1,2-dichloro-4-(3-methylbut-3-enyl)benzene (PubChem CID 24722016) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1,2-dichloro-4-(3-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(3-methylbut-3-enyl)benzene
PubChem CID24722016
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name1,2-dichloro-4-(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2/c1-8(2)3-4-9-5-6-10(12)11(13)7-9/h5-7H,1,3-4H2,2H3
InChIKeyNVEOKVBXFPRDLZ-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-5-methylhex-5-en-2-one
CID 114473519
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
4-(3,4-dichlorophenyl)butanamide
CID 47319689
4-(3-methylbut-3-enyl)aniline
CID 126710999
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
2-[3-chloro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476300
3-(3,4-dichlorophenyl)-N-methoxy-N-methylpropanamide
CID 86728179
N-(2-cyanopropan-2-yl)-3-(3,4-dichlorophenyl)propanamide
CID 110614985
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine
CID 114475615
N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
CID 110478308

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(3-methylbut-3-enyl)benzene?
The IUPAC name of 1,2-dichloro-4-(3-methylbut-3-enyl)benzene (CID 24722016) is 1,2-dichloro-4-(3-methylbut-3-enyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(3-methylbut-3-enyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(3-methylbut-3-enyl)benzene is C=C(C)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(3-methylbut-3-enyl)benzene?
The InChIKey is NVEOKVBXFPRDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c1-8(2)3-4-9-5-6-10(12)11(13)7-9/h5-7H,1,3-4H2,2H3.
What are the key properties of 1,2-dichloro-4-(3-methylbut-3-enyl)benzene?
1,2-dichloro-4-(3-methylbut-3-enyl)benzene has a molecular weight of 215.12 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(3-methylbut-3-enyl)benzene is sourced from PubChem (CID 24722016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).