2-butyl-4-phenylfuran

C14H16O — CID 71372399

IUPAC2-butyl-4-phenylfuran
SMILESCCCCc1cc(-c2ccccc2)co1
InChIInChI=1S/C14H16O/c1-2-3-9-14-10-13(11-15-14)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3
InChIKeyGYIXTWHHRVNNPH-UHFFFAOYSA-N
MW200.28 g/mol
LogP4.29
Rot. Bonds4

About 2-butyl-4-phenylfuran

2-butyl-4-phenylfuran (PubChem CID 71372399) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-butyl-4-phenylfuran.

Molecular Properties

Compound Name2-butyl-4-phenylfuran
PubChem CID71372399
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-butyl-4-phenylfuran
SMILESCCCCc1cc(-c2ccccc2)co1
InChIInChI=1S/C14H16O/c1-2-3-9-14-10-13(11-15-14)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3
InChIKeyGYIXTWHHRVNNPH-UHFFFAOYSA-N
XLogP4.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-phenylfuran?
The IUPAC name of 2-butyl-4-phenylfuran (CID 71372399) is 2-butyl-4-phenylfuran.
What is the SMILES notation for 2-butyl-4-phenylfuran?
The canonical SMILES for 2-butyl-4-phenylfuran is CCCCc1cc(-c2ccccc2)co1.
What is the InChIKey of 2-butyl-4-phenylfuran?
The InChIKey is GYIXTWHHRVNNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-3-9-14-10-13(11-15-14)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3.
What are the key properties of 2-butyl-4-phenylfuran?
2-butyl-4-phenylfuran has a molecular weight of 200.28 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-phenylfuran is sourced from PubChem (CID 71372399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).