1-deuterio-3,5-dimethoxybenzene

C8H10O2 — CID 102137125

IUPAC1-deuterio-3,5-dimethoxybenzene
SMILES[2H]c1cc(OC)cc(OC)c1
InChIInChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3/i3D
InChIKeyDPZNOMCNRMUKPS-WFVSFCRTSA-N
MW139.17 g/mol
LogP1.70
Rot. Bonds2

About 1-deuterio-3,5-dimethoxybenzene

1-deuterio-3,5-dimethoxybenzene (PubChem CID 102137125) has the molecular formula C8H10O2 and a molecular weight of 139.17 g/mol. Its IUPAC name is 1-deuterio-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-deuterio-3,5-dimethoxybenzene
PubChem CID102137125
Molecular FormulaC8H10O2
Molecular Weight139.17 g/mol
Exact Mass139.07
IUPAC Name1-deuterio-3,5-dimethoxybenzene
SMILES[2H]c1cc(OC)cc(OC)c1
InChIInChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3/i3D
InChIKeyDPZNOMCNRMUKPS-WFVSFCRTSA-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 ≤ 500139.17
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-deuterio-3,5-dimethoxybenzene?
The IUPAC name of 1-deuterio-3,5-dimethoxybenzene (CID 102137125) is 1-deuterio-3,5-dimethoxybenzene.
What is the SMILES notation for 1-deuterio-3,5-dimethoxybenzene?
The canonical SMILES for 1-deuterio-3,5-dimethoxybenzene is [2H]c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-deuterio-3,5-dimethoxybenzene?
The InChIKey is DPZNOMCNRMUKPS-WFVSFCRTSA-N. The full InChI is InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3/i3D.
What are the key properties of 1-deuterio-3,5-dimethoxybenzene?
1-deuterio-3,5-dimethoxybenzene has a molecular weight of 139.17 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-deuterio-3,5-dimethoxybenzene is sourced from PubChem (CID 102137125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).