2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene

C10H10Cl2O2 — CID 134457567

IUPAC2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene
SMILESC=Cc1c(Cl)c(OC)cc(OC)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-4-6-9(11)7(13-2)5-8(14-3)10(6)12/h4-5H,1H2,2-3H3
InChIKeyXASVJAHDMZSXGT-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.65
Rot. Bonds3

About 2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene

2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene (PubChem CID 134457567) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene.

Molecular Properties

Compound Name2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene
PubChem CID134457567
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene
SMILESC=Cc1c(Cl)c(OC)cc(OC)c1Cl
InChIInChI=1S/C10H10Cl2O2/c1-4-6-9(11)7(13-2)5-8(14-3)10(6)12/h4-5H,1H2,2-3H3
InChIKeyXASVJAHDMZSXGT-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene?
The IUPAC name of 2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene (CID 134457567) is 2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene.
What is the SMILES notation for 2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene?
The canonical SMILES for 2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene is C=Cc1c(Cl)c(OC)cc(OC)c1Cl.
What is the InChIKey of 2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene?
The InChIKey is XASVJAHDMZSXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-4-6-9(11)7(13-2)5-8(14-3)10(6)12/h4-5H,1H2,2-3H3.
What are the key properties of 2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene?
2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene has a molecular weight of 233.09 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-ethenyl-1,5-dimethoxybenzene is sourced from PubChem (CID 134457567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).