1-chloro-3-(5-chloropent-2-enyl)benzene

C11H12Cl2 — CID 79603692

IUPAC1-chloro-3-(5-chloropent-2-enyl)benzene
SMILESClCCC=CCc1cccc(Cl)c1
InChIInChI=1S/C11H12Cl2/c12-8-3-1-2-5-10-6-4-7-11(13)9-10/h1-2,4,6-7,9H,3,5,8H2
InChIKeyMYVLSCONAPBIMQ-UHFFFAOYSA-N
MW215.12 g/mol
LogP4.07
Rot. Bonds4

About 1-chloro-3-(5-chloropent-2-enyl)benzene

1-chloro-3-(5-chloropent-2-enyl)benzene (PubChem CID 79603692) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1-chloro-3-(5-chloropent-2-enyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(5-chloropent-2-enyl)benzene
PubChem CID79603692
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name1-chloro-3-(5-chloropent-2-enyl)benzene
SMILESClCCC=CCc1cccc(Cl)c1
InChIInChI=1S/C11H12Cl2/c12-8-3-1-2-5-10-6-4-7-11(13)9-10/h1-2,4,6-7,9H,3,5,8H2
InChIKeyMYVLSCONAPBIMQ-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 54.07
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

1-chloro-3-(3-chloroprop-2-enyl)benzene
CID 173121619
1-chloro-3-[(Z)-3-isocyanatoprop-2-enyl]benzene
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1-chloro-3-[[(3-chlorophenyl)methyldisulfanyl]methyl]benzene
CID 45377271
1-[(Z)-hex-2-enyl]-3-methylbenzene
CID 101190405
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
N-[(3-chlorophenyl)methyl]methanethioamide
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1-chloro-3-(2,2,2-tribromoethyl)benzene
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dichloro-bis[(3-chlorophenyl)methyl]stannane
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(5-chloropent-2-enyl)benzene?
The IUPAC name of 1-chloro-3-(5-chloropent-2-enyl)benzene (CID 79603692) is 1-chloro-3-(5-chloropent-2-enyl)benzene.
What is the SMILES notation for 1-chloro-3-(5-chloropent-2-enyl)benzene?
The canonical SMILES for 1-chloro-3-(5-chloropent-2-enyl)benzene is ClCCC=CCc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(5-chloropent-2-enyl)benzene?
The InChIKey is MYVLSCONAPBIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c12-8-3-1-2-5-10-6-4-7-11(13)9-10/h1-2,4,6-7,9H,3,5,8H2.
What are the key properties of 1-chloro-3-(5-chloropent-2-enyl)benzene?
1-chloro-3-(5-chloropent-2-enyl)benzene has a molecular weight of 215.12 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(5-chloropent-2-enyl)benzene is sourced from PubChem (CID 79603692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).