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

C13H16Cl2O — CID 83941256

IUPAC1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1cc(Cl)cc(Cl)c1OCC
InChIInChI=1S/C13H16Cl2O/c1-4-9(3)6-10-7-11(14)8-12(15)13(10)16-5-2/h4,7-9H,1,5-6H2,2-3H3
InChIKeyDGFOSXJBTJATKS-UHFFFAOYSA-N
MW259.18 g/mol
LogP4.76
Rot. Bonds5

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

1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene (PubChem CID 83941256) has the molecular formula C13H16Cl2O and a molecular weight of 259.18 g/mol. Its IUPAC name is 1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene
PubChem CID83941256
Molecular FormulaC13H16Cl2O
Molecular Weight259.18 g/mol
Exact Mass258.06
IUPAC Name1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1cc(Cl)cc(Cl)c1OCC
InChIInChI=1S/C13H16Cl2O/c1-4-9(3)6-10-7-11(14)8-12(15)13(10)16-5-2/h4,7-9H,1,5-6H2,2-3H3
InChIKeyDGFOSXJBTJATKS-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4,5-diethoxy-2-(2-methylbut-3-enyl)benzene
CID 83943768
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
CID 83941186
1,3-dichloro-5-(2-methylbut-3-enyl)benzene
CID 83924853
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209034
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol
CID 4717389
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine
CID 170891411
1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 170893991
1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene
CID 83943354
1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
CID 83941177

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene?
The IUPAC name of 1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene (CID 83941256) is 1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene.
What is the SMILES notation for 1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene?
The canonical SMILES for 1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene is C=CC(C)Cc1cc(Cl)cc(Cl)c1OCC.
What is the InChIKey of 1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene?
The InChIKey is DGFOSXJBTJATKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O/c1-4-9(3)6-10-7-11(14)8-12(15)13(10)16-5-2/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene?
1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene has a molecular weight of 259.18 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene is sourced from PubChem (CID 83941256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).