2,5-bis(2,4-dimethylphenyl)furan

C20H20O — CID 69007867

IUPAC2,5-bis(2,4-dimethylphenyl)furan
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3C)o2)c(C)c1
InChIInChI=1S/C20H20O/c1-13-5-7-17(15(3)11-13)19-9-10-20(21-19)18-8-6-14(2)12-16(18)4/h5-12H,1-4H3
InChIKeyBVGWUHYSHSSVLA-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.85
Rot. Bonds2

About 2,5-bis(2,4-dimethylphenyl)furan

2,5-bis(2,4-dimethylphenyl)furan (PubChem CID 69007867) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,5-bis(2,4-dimethylphenyl)furan.

Molecular Properties

Compound Name2,5-bis(2,4-dimethylphenyl)furan
PubChem CID69007867
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name2,5-bis(2,4-dimethylphenyl)furan
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3C)o2)c(C)c1
InChIInChI=1S/C20H20O/c1-13-5-7-17(15(3)11-13)19-9-10-20(21-19)18-8-6-14(2)12-16(18)4/h5-12H,1-4H3
InChIKeyBVGWUHYSHSSVLA-UHFFFAOYSA-N
XLogP5.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,4-dimethylphenyl)furan?
The IUPAC name of 2,5-bis(2,4-dimethylphenyl)furan (CID 69007867) is 2,5-bis(2,4-dimethylphenyl)furan.
What is the SMILES notation for 2,5-bis(2,4-dimethylphenyl)furan?
The canonical SMILES for 2,5-bis(2,4-dimethylphenyl)furan is Cc1ccc(-c2ccc(-c3ccc(C)cc3C)o2)c(C)c1.
What is the InChIKey of 2,5-bis(2,4-dimethylphenyl)furan?
The InChIKey is BVGWUHYSHSSVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-13-5-7-17(15(3)11-13)19-9-10-20(21-19)18-8-6-14(2)12-16(18)4/h5-12H,1-4H3.
What are the key properties of 2,5-bis(2,4-dimethylphenyl)furan?
2,5-bis(2,4-dimethylphenyl)furan has a molecular weight of 276.38 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,4-dimethylphenyl)furan is sourced from PubChem (CID 69007867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).