2-benzyl-5-phenyl-3,4-dipropylfuran

C23H26O — CID 102050941

IUPAC2-benzyl-5-phenyl-3,4-dipropylfuran
SMILESCCCc1c(Cc2ccccc2)oc(-c2ccccc2)c1CCC
InChIInChI=1S/C23H26O/c1-3-11-20-21(12-4-2)23(19-15-9-6-10-16-19)24-22(20)17-18-13-7-5-8-14-18/h5-10,13-16H,3-4,11-12,17H2,1-2H3
InChIKeyGWELKEKIYQFFOU-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.44
Rot. Bonds7

About 2-benzyl-5-phenyl-3,4-dipropylfuran

2-benzyl-5-phenyl-3,4-dipropylfuran (PubChem CID 102050941) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-benzyl-5-phenyl-3,4-dipropylfuran.

Molecular Properties

Compound Name2-benzyl-5-phenyl-3,4-dipropylfuran
PubChem CID102050941
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name2-benzyl-5-phenyl-3,4-dipropylfuran
SMILESCCCc1c(Cc2ccccc2)oc(-c2ccccc2)c1CCC
InChIInChI=1S/C23H26O/c1-3-11-20-21(12-4-2)23(19-15-9-6-10-16-19)24-22(20)17-18-13-7-5-8-14-18/h5-10,13-16H,3-4,11-12,17H2,1-2H3
InChIKeyGWELKEKIYQFFOU-UHFFFAOYSA-N
XLogP6.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-phenyl-3,4-dipropylfuran?
The IUPAC name of 2-benzyl-5-phenyl-3,4-dipropylfuran (CID 102050941) is 2-benzyl-5-phenyl-3,4-dipropylfuran.
What is the SMILES notation for 2-benzyl-5-phenyl-3,4-dipropylfuran?
The canonical SMILES for 2-benzyl-5-phenyl-3,4-dipropylfuran is CCCc1c(Cc2ccccc2)oc(-c2ccccc2)c1CCC.
What is the InChIKey of 2-benzyl-5-phenyl-3,4-dipropylfuran?
The InChIKey is GWELKEKIYQFFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-3-11-20-21(12-4-2)23(19-15-9-6-10-16-19)24-22(20)17-18-13-7-5-8-14-18/h5-10,13-16H,3-4,11-12,17H2,1-2H3.
What are the key properties of 2-benzyl-5-phenyl-3,4-dipropylfuran?
2-benzyl-5-phenyl-3,4-dipropylfuran has a molecular weight of 318.46 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-phenyl-3,4-dipropylfuran is sourced from PubChem (CID 102050941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).