1-but-2-enyl-2,4-dichlorobenzene

C10H10Cl2 — CID 70272980

IUPAC1-but-2-enyl-2,4-dichlorobenzene
SMILESCC=CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h2-3,5-7H,4H2,1H3
InChIKeyYYJMUOCPESEDEU-UHFFFAOYSA-N
MW201.10 g/mol
LogP4.11
Rot. Bonds2

About 1-but-2-enyl-2,4-dichlorobenzene

1-but-2-enyl-2,4-dichlorobenzene (PubChem CID 70272980) has the molecular formula C10H10Cl2 and a molecular weight of 201.10 g/mol. Its IUPAC name is 1-but-2-enyl-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-but-2-enyl-2,4-dichlorobenzene
PubChem CID70272980
Molecular FormulaC10H10Cl2
Molecular Weight201.10 g/mol
Exact Mass200.02
IUPAC Name1-but-2-enyl-2,4-dichlorobenzene
SMILESCC=CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h2-3,5-7H,4H2,1H3
InChIKeyYYJMUOCPESEDEU-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 54.11
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

2-(2,4-dichlorophenyl)ethanethial
CID 87622266
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
2-[(Z)-but-2-enyl]-4,6-dichlorophenol
CID 92532445
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene
CID 173119979
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
(2,4-dichlorophenyl)methylphosphane
CID 134447961
3-(2,4-dichlorophenyl)propanal;ethane
CID 143735610
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
3-(2,4-dichlorophenyl)-2-methylpropanal
CID 91884147
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-2,4-dichlorobenzene?
The IUPAC name of 1-but-2-enyl-2,4-dichlorobenzene (CID 70272980) is 1-but-2-enyl-2,4-dichlorobenzene.
What is the SMILES notation for 1-but-2-enyl-2,4-dichlorobenzene?
The canonical SMILES for 1-but-2-enyl-2,4-dichlorobenzene is CC=CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-but-2-enyl-2,4-dichlorobenzene?
The InChIKey is YYJMUOCPESEDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h2-3,5-7H,4H2,1H3.
What are the key properties of 1-but-2-enyl-2,4-dichlorobenzene?
1-but-2-enyl-2,4-dichlorobenzene has a molecular weight of 201.10 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-2,4-dichlorobenzene is sourced from PubChem (CID 70272980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).