1,3-dichloro-5-(2-methylbut-3-enyl)benzene

C11H12Cl2 — CID 83924853

IUPAC1,3-dichloro-5-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2/c1-3-8(2)4-9-5-10(12)7-11(13)6-9/h3,5-8H,1,4H2,2H3
InChIKeyCNLQQJBKWPQBMB-UHFFFAOYSA-N
MW215.12 g/mol
LogP4.36
Rot. Bonds3

About 1,3-dichloro-5-(2-methylbut-3-enyl)benzene

1,3-dichloro-5-(2-methylbut-3-enyl)benzene (PubChem CID 83924853) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1,3-dichloro-5-(2-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(2-methylbut-3-enyl)benzene
PubChem CID83924853
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name1,3-dichloro-5-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2/c1-3-8(2)4-9-5-10(12)7-11(13)6-9/h3,5-8H,1,4H2,2H3
InChIKeyCNLQQJBKWPQBMB-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
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-chloro-4-(2-methylbut-3-enyl)benzene
CID 83931184
1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene
CID 83941256
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565
1-(3,5-dichlorophenyl)butan-2-ol
CID 71163653
2-chloro-3-(3,5-dichlorophenyl)propanal
CID 62395185
5-(3,5-dichlorophenyl)-4-methylpentan-2-one
CID 83924807
1-butyl-4-(2-methylbut-3-enyl)benzene
CID 83921809
1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene
CID 83943354
1-tert-butyl-4-[4-(2-methylbut-3-enyl)phenyl]benzene
CID 170786148
6-chloro-7-(2-methylbut-3-enyl)-2,3-dihydro-1,4-benzodioxine
CID 83922294
(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine
CID 97057927
1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol
CID 117303457

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(2-methylbut-3-enyl)benzene?
The IUPAC name of 1,3-dichloro-5-(2-methylbut-3-enyl)benzene (CID 83924853) is 1,3-dichloro-5-(2-methylbut-3-enyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(2-methylbut-3-enyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(2-methylbut-3-enyl)benzene is C=CC(C)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(2-methylbut-3-enyl)benzene?
The InChIKey is CNLQQJBKWPQBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c1-3-8(2)4-9-5-10(12)7-11(13)6-9/h3,5-8H,1,4H2,2H3.
What are the key properties of 1,3-dichloro-5-(2-methylbut-3-enyl)benzene?
1,3-dichloro-5-(2-methylbut-3-enyl)benzene has a molecular weight of 215.12 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(2-methylbut-3-enyl)benzene is sourced from PubChem (CID 83924853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).