5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine

C18H18O4 — CID 822103

IUPAC5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)OCCO2)cc1
InChIInChI=1S/C18H18O4/c1-19-15-7-3-13(4-8-15)17-18(22-12-11-21-17)14-5-9-16(20-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyKGFOYUSSSCIXOP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.58
Rot. Bonds4

About 5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine

5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine (PubChem CID 822103) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine
PubChem CID822103
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)OCCO2)cc1
InChIInChI=1S/C18H18O4/c1-19-15-7-3-13(4-8-15)17-18(22-12-11-21-17)14-5-9-16(20-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyKGFOYUSSSCIXOP-UHFFFAOYSA-N
XLogP3.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine (CID 822103) is 5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine is COc1ccc(C2=C(c3ccc(OC)cc3)OCCO2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine?
The InChIKey is KGFOYUSSSCIXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-19-15-7-3-13(4-8-15)17-18(22-12-11-21-17)14-5-9-16(20-2)10-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine?
5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine has a molecular weight of 298.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 822103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).