1,4-dioxine;furan

C8H8O3 — CID 66779895

IUPAC1,4-dioxine;furan
SMILESC1=COC=CO1.c1ccoc1
InChIInChI=1S/C4H4O2.C4H4O/c1-2-6-4-3-5-1;1-2-4-5-3-1/h1-4H;1-4H
InChIKeyPVEJIIYHUJZERF-UHFFFAOYSA-N
MW152.15 g/mol
LogP2.26
Rot. Bonds

About 1,4-dioxine;furan

1,4-dioxine;furan (PubChem CID 66779895) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1,4-dioxine;furan.

Molecular Properties

Compound Name1,4-dioxine;furan
PubChem CID66779895
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name1,4-dioxine;furan
SMILESC1=COC=CO1.c1ccoc1
InChIInChI=1S/C4H4O2.C4H4O/c1-2-6-4-3-5-1;1-2-4-5-3-1/h1-4H;1-4H
InChIKeyPVEJIIYHUJZERF-UHFFFAOYSA-N
XLogP2.26
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxine;furan?
The IUPAC name of 1,4-dioxine;furan (CID 66779895) is 1,4-dioxine;furan.
What is the SMILES notation for 1,4-dioxine;furan?
The canonical SMILES for 1,4-dioxine;furan is C1=COC=CO1.c1ccoc1.
What is the InChIKey of 1,4-dioxine;furan?
The InChIKey is PVEJIIYHUJZERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2.C4H4O/c1-2-6-4-3-5-1;1-2-4-5-3-1/h1-4H;1-4H.
What are the key properties of 1,4-dioxine;furan?
1,4-dioxine;furan has a molecular weight of 152.15 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxine;furan is sourced from PubChem (CID 66779895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).