1,2-dichloro-4,5-dimethoxybenzene

C8H8Cl2O2 — CID 17713

IUPAC1,2-dichloro-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(Cl)cc1OC
InChIInChI=1S/C8H8Cl2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKeyRJYXLZQZBLGBOM-UHFFFAOYSA-N
MW207.06 g/mol
LogP3.01
Rot. Bonds2

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

1,2-dichloro-4,5-dimethoxybenzene (PubChem CID 17713) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is 1,2-dichloro-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1,2-dichloro-4,5-dimethoxybenzene
PubChem CID17713
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name1,2-dichloro-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(Cl)cc1OC
InChIInChI=1S/C8H8Cl2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKeyRJYXLZQZBLGBOM-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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Related Compounds

2,3,7,8-Tetrachlorodibenzo-P-Dioxin
CID 15625
2,3,7-Trichlorodibenzo(b,e)(1,4)dioxin
CID 36614
2,3-Dichlorodibenzo-p-dioxin
CID 34586
4-Chloroguaiacol
CID 28050
4,5-Dichloroguaiacol
CID 17160
4,5,6-Trichloroguaiacol
CID 17577
3,4,5-Trichloroguaiacol
CID 42115
4-Chloro-1,2-dimethoxybenzene
CID 28048
1,2-Dichloro-4-methoxybenzene
CID 37438
3,4,5-Trichloroanisole
CID 41019
1,4-Benzodioxan-2-methanol, 6,7-dichloro-
CID 16563
Phenol, 3,4-dichloro-2-methoxy-
CID 53582

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4,5-dimethoxybenzene?
The IUPAC name of 1,2-dichloro-4,5-dimethoxybenzene (CID 17713) is 1,2-dichloro-4,5-dimethoxybenzene.
What is the SMILES notation for 1,2-dichloro-4,5-dimethoxybenzene?
The canonical SMILES for 1,2-dichloro-4,5-dimethoxybenzene is COc1cc(Cl)c(Cl)cc1OC.
What is the InChIKey of 1,2-dichloro-4,5-dimethoxybenzene?
The InChIKey is RJYXLZQZBLGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3.
What are the key properties of 1,2-dichloro-4,5-dimethoxybenzene?
1,2-dichloro-4,5-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 1,2-dichloro-4,5-dimethoxybenzene is sourced from PubChem (CID 17713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).