1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene

C11H11BrCl2 — CID 141179142

IUPAC1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene
SMILESC=CCC(CBr)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11BrCl2/c1-2-3-8(7-12)10-5-4-9(13)6-11(10)14/h2,4-6,8H,1,3,7H2
InChIKeyVVTMEHLPXOPTQZ-UHFFFAOYSA-N
MW294.02 g/mol
LogP5.05
Rot. Bonds4

About 1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene

1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene (PubChem CID 141179142) has the molecular formula C11H11BrCl2 and a molecular weight of 294.02 g/mol. Its IUPAC name is 1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene
PubChem CID141179142
Molecular FormulaC11H11BrCl2
Molecular Weight294.02 g/mol
Exact Mass291.94
IUPAC Name1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene
SMILESC=CCC(CBr)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11BrCl2/c1-2-3-8(7-12)10-5-4-9(13)6-11(10)14/h2,4-6,8H,1,3,7H2
InChIKeyVVTMEHLPXOPTQZ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.02
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
CID 124548037
1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
CID 141179146
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
methyl 2-(2,4-dichlorophenyl)pent-4-enoate
CID 21499630
(1R)-1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 131092271
(1S)-1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 130783678
1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 103692971
2,4-dichloro-1-prop-2-enylsulfanylbenzene
CID 130138929
1-(4-chloro-2-methylphenyl)but-3-en-1-ol
CID 2757691
(1R)-1-(4-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171202914
1-(2,5-dichlorophenyl)pent-4-en-2-amine
CID 116660415
3-amino-2-(2,4-dichlorophenyl)propan-1-ol
CID 79684863

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene?
The IUPAC name of 1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene (CID 141179142) is 1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene.
What is the SMILES notation for 1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene?
The canonical SMILES for 1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene is C=CCC(CBr)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene?
The InChIKey is VVTMEHLPXOPTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2/c1-2-3-8(7-12)10-5-4-9(13)6-11(10)14/h2,4-6,8H,1,3,7H2.
What are the key properties of 1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene?
1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene has a molecular weight of 294.02 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene is sourced from PubChem (CID 141179142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).