2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran

C20H20O3 — CID 86210306

IUPAC2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran
SMILESCOc1ccc(-c2oc(-c3ccc(OC)cc3)c(C)c2C)cc1
InChIInChI=1S/C20H20O3/c1-13-14(2)20(16-7-11-18(22-4)12-8-16)23-19(13)15-5-9-17(21-3)10-6-15/h5-12H,1-4H3
InChIKeyMNSXNPMZVQJUBW-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.25
Rot. Bonds4

About 2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran

2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran (PubChem CID 86210306) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran
PubChem CID86210306
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran
SMILESCOc1ccc(-c2oc(-c3ccc(OC)cc3)c(C)c2C)cc1
InChIInChI=1S/C20H20O3/c1-13-14(2)20(16-7-11-18(22-4)12-8-16)23-19(13)15-5-9-17(21-3)10-6-15/h5-12H,1-4H3
InChIKeyMNSXNPMZVQJUBW-UHFFFAOYSA-N
XLogP5.25
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran?
The IUPAC name of 2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran (CID 86210306) is 2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran is COc1ccc(-c2oc(-c3ccc(OC)cc3)c(C)c2C)cc1.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran?
The InChIKey is MNSXNPMZVQJUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-13-14(2)20(16-7-11-18(22-4)12-8-16)23-19(13)15-5-9-17(21-3)10-6-15/h5-12H,1-4H3.
What are the key properties of 2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran?
2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran has a molecular weight of 308.38 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)-3,4-dimethylfuran is sourced from PubChem (CID 86210306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).