1,3-dimethoxybenzene

C8H10O2 — CID 9025

IUPAC1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1
InChIInChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
InChIKeyDPZNOMCNRMUKPS-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.70
Rot. Bonds2

About 1,3-dimethoxybenzene

1,3-dimethoxybenzene (PubChem CID 9025) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1,3-dimethoxybenzene.

Molecular Properties

Compound Name1,3-dimethoxybenzene
PubChem CID9025
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1
InChIInChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
InChIKeyDPZNOMCNRMUKPS-UHFFFAOYSA-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 ≤ 500138.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxybenzene?
The IUPAC name of 1,3-dimethoxybenzene (CID 9025) is 1,3-dimethoxybenzene.
What is the SMILES notation for 1,3-dimethoxybenzene?
The canonical SMILES for 1,3-dimethoxybenzene is COc1cccc(OC)c1.
What is the InChIKey of 1,3-dimethoxybenzene?
The InChIKey is DPZNOMCNRMUKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3.
What are the key properties of 1,3-dimethoxybenzene?
1,3-dimethoxybenzene has a molecular weight of 138.17 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 1,3-dimethoxybenzene is sourced from PubChem (CID 9025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).