1,2,3,4-tetradeuterio-5,6-dimethoxybenzene

C8H10O2 — CID 56845942

IUPAC1,2,3,4-tetradeuterio-5,6-dimethoxybenzene
SMILES[2H]c1c([2H])c([2H])c(OC)c(OC)c1[2H]
InChIInChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3/i3D,4D,5D,6D
InChIKeyABDKAPXRBAPSQN-LNFUJOGGSA-N
MW142.19 g/mol
LogP1.70
Rot. Bonds2

About 1,2,3,4-tetradeuterio-5,6-dimethoxybenzene

1,2,3,4-tetradeuterio-5,6-dimethoxybenzene (PubChem CID 56845942) has the molecular formula C8H10O2 and a molecular weight of 142.19 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-5,6-dimethoxybenzene.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-5,6-dimethoxybenzene
PubChem CID56845942
Molecular FormulaC8H10O2
Molecular Weight142.19 g/mol
Exact Mass142.09
IUPAC Name1,2,3,4-tetradeuterio-5,6-dimethoxybenzene
SMILES[2H]c1c([2H])c([2H])c(OC)c(OC)c1[2H]
InChIInChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3/i3D,4D,5D,6D
InChIKeyABDKAPXRBAPSQN-LNFUJOGGSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-5,6-dimethoxybenzene?
The IUPAC name of 1,2,3,4-tetradeuterio-5,6-dimethoxybenzene (CID 56845942) is 1,2,3,4-tetradeuterio-5,6-dimethoxybenzene.
What is the SMILES notation for 1,2,3,4-tetradeuterio-5,6-dimethoxybenzene?
The canonical SMILES for 1,2,3,4-tetradeuterio-5,6-dimethoxybenzene is [2H]c1c([2H])c([2H])c(OC)c(OC)c1[2H].
What is the InChIKey of 1,2,3,4-tetradeuterio-5,6-dimethoxybenzene?
The InChIKey is ABDKAPXRBAPSQN-LNFUJOGGSA-N. The full InChI is InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3/i3D,4D,5D,6D.
What are the key properties of 1,2,3,4-tetradeuterio-5,6-dimethoxybenzene?
1,2,3,4-tetradeuterio-5,6-dimethoxybenzene has a molecular weight of 142.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-5,6-dimethoxybenzene is sourced from PubChem (CID 56845942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).