1,3-dichloro-2,5-dimethoxybenzene

C8H8Cl2O2 — CID 13358111

IUPAC1,3-dichloro-2,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C8H8Cl2O2/c1-11-5-3-6(9)8(12-2)7(10)4-5/h3-4H,1-2H3
InChIKeyYWBUGKRHEDZMFG-UHFFFAOYSA-N
MW207.06 g/mol
LogP3.01
Rot. Bonds2

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

1,3-dichloro-2,5-dimethoxybenzene (PubChem CID 13358111) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is 1,3-dichloro-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1,3-dichloro-2,5-dimethoxybenzene
PubChem CID13358111
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name1,3-dichloro-2,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C8H8Cl2O2/c1-11-5-3-6(9)8(12-2)7(10)4-5/h3-4H,1-2H3
InChIKeyYWBUGKRHEDZMFG-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2,5-dimethoxybenzene?
The IUPAC name of 1,3-dichloro-2,5-dimethoxybenzene (CID 13358111) is 1,3-dichloro-2,5-dimethoxybenzene.
What is the SMILES notation for 1,3-dichloro-2,5-dimethoxybenzene?
The canonical SMILES for 1,3-dichloro-2,5-dimethoxybenzene is COc1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2,5-dimethoxybenzene?
The InChIKey is YWBUGKRHEDZMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2/c1-11-5-3-6(9)8(12-2)7(10)4-5/h3-4H,1-2H3.
What are the key properties of 1,3-dichloro-2,5-dimethoxybenzene?
1,3-dichloro-2,5-dimethoxybenzene has a molecular weight of 207.06 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2,5-dimethoxybenzene is sourced from PubChem (CID 13358111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).