1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene

C10H12Cl2O3 — CID 173127385

IUPAC1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
SMILESCOc1c(C)c(Cl)c(Cl)c(OC)c1OC
InChIInChI=1S/C10H12Cl2O3/c1-5-6(11)7(12)9(14-3)10(15-4)8(5)13-2/h1-4H3
InChIKeyDZZBBCGETAGCCU-UHFFFAOYSA-N
MW251.11 g/mol
LogP3.33
Rot. Bonds3

About 1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene

1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene (PubChem CID 173127385) has the molecular formula C10H12Cl2O3 and a molecular weight of 251.11 g/mol. Its IUPAC name is 1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene.

Molecular Properties

Compound Name1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
PubChem CID173127385
Molecular FormulaC10H12Cl2O3
Molecular Weight251.11 g/mol
Exact Mass250.02
IUPAC Name1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
SMILESCOc1c(C)c(Cl)c(Cl)c(OC)c1OC
InChIInChI=1S/C10H12Cl2O3/c1-5-6(11)7(12)9(14-3)10(15-4)8(5)13-2/h1-4H3
InChIKeyDZZBBCGETAGCCU-UHFFFAOYSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene?
The IUPAC name of 1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene (CID 173127385) is 1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene.
What is the SMILES notation for 1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene?
The canonical SMILES for 1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene is COc1c(C)c(Cl)c(Cl)c(OC)c1OC.
What is the InChIKey of 1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene?
The InChIKey is DZZBBCGETAGCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3/c1-5-6(11)7(12)9(14-3)10(15-4)8(5)13-2/h1-4H3.
What are the key properties of 1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene?
1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene has a molecular weight of 251.11 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene is sourced from PubChem (CID 173127385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).