1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride

C10H13Cl3O2 — CID 165360652

IUPAC1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride
SMILESCOc1c(C)c(C)c(Cl)c(Cl)c1OC.Cl
InChIInChI=1S/C10H12Cl2O2.ClH/c1-5-6(2)9(13-3)10(14-4)8(12)7(5)11;/h1-4H3;1H
InChIKeyOEAVEMKSSYTYGA-UHFFFAOYSA-N
MW271.57 g/mol
LogP4.05
Rot. Bonds2

About 1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride

1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride (PubChem CID 165360652) has the molecular formula C10H13Cl3O2 and a molecular weight of 271.57 g/mol. Its IUPAC name is 1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride.

Molecular Properties

Compound Name1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride
PubChem CID165360652
Molecular FormulaC10H13Cl3O2
Molecular Weight271.57 g/mol
Exact Mass270.00
IUPAC Name1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride
SMILESCOc1c(C)c(C)c(Cl)c(Cl)c1OC.Cl
InChIInChI=1S/C10H12Cl2O2.ClH/c1-5-6(2)9(13-3)10(14-4)8(12)7(5)11;/h1-4H3;1H
InChIKeyOEAVEMKSSYTYGA-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.57
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride?
The IUPAC name of 1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride (CID 165360652) is 1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride.
What is the SMILES notation for 1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride?
The canonical SMILES for 1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride is COc1c(C)c(C)c(Cl)c(Cl)c1OC.Cl.
What is the InChIKey of 1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride?
The InChIKey is OEAVEMKSSYTYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2.ClH/c1-5-6(2)9(13-3)10(14-4)8(12)7(5)11;/h1-4H3;1H.
What are the key properties of 1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride?
1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride has a molecular weight of 271.57 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,4-dimethoxy-5,6-dimethylbenzene;hydrochloride is sourced from PubChem (CID 165360652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).