2-butylfuran

C8H12O — CID 20534

IUPAC2-butylfuran
SMILESCCCCc1ccco1
InChIInChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
InChIKeyNWZIYQNUCXUJJJ-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.62
Rot. Bonds3

About 2-butylfuran

2-butylfuran (PubChem CID 20534) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-butylfuran.

Molecular Properties

Compound Name2-butylfuran
PubChem CID20534
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-butylfuran
SMILESCCCCc1ccco1
InChIInChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
InChIKeyNWZIYQNUCXUJJJ-UHFFFAOYSA-N
XLogP2.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethylfuran
CID 12266
2-Methylfuran
CID 10797
2-Pentylfuran
CID 19602
5-Methylfurfural
CID 12097
2-Acetylfuran
CID 14505
2-Ethylfuran
CID 18554
2-Ethyl-5-methylfuran
CID 74346
Furfuryl isopropyl sulfide
CID 61282
2-Heptylfuran
CID 19603
2-Furyl pentyl ketone
CID 61738
Furfuryl methyl ketone
CID 228583
2-Butyrylfuran
CID 228588

Frequently Asked Questions

What is the IUPAC name of 2-butylfuran?
The IUPAC name of 2-butylfuran (CID 20534) is 2-butylfuran.
What is the SMILES notation for 2-butylfuran?
The canonical SMILES for 2-butylfuran is CCCCc1ccco1.
What is the InChIKey of 2-butylfuran?
The InChIKey is NWZIYQNUCXUJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-butylfuran?
2-butylfuran has a molecular weight of 124.18 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylfuran is sourced from PubChem (CID 20534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).