4-(furan-2-yl)butan-2-one

C8H10O2 — CID 12780

IUPAC4-(furan-2-yl)butan-2-one
SMILESCC(=O)CCc1ccco1
InChIInChI=1S/C8H10O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6H,4-5H2,1H3
InChIKeyGGJUJWSDTDBTLX-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.80
Rot. Bonds3

About 4-(furan-2-yl)butan-2-one

4-(furan-2-yl)butan-2-one (PubChem CID 12780) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(furan-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)butan-2-one
PubChem CID12780
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-(furan-2-yl)butan-2-one
SMILESCC(=O)CCc1ccco1
InChIInChI=1S/C8H10O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6H,4-5H2,1H3
InChIKeyGGJUJWSDTDBTLX-UHFFFAOYSA-N
XLogP1.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)butan-2-one?
The IUPAC name of 4-(furan-2-yl)butan-2-one (CID 12780) is 4-(furan-2-yl)butan-2-one.
What is the SMILES notation for 4-(furan-2-yl)butan-2-one?
The canonical SMILES for 4-(furan-2-yl)butan-2-one is CC(=O)CCc1ccco1.
What is the InChIKey of 4-(furan-2-yl)butan-2-one?
The InChIKey is GGJUJWSDTDBTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-(furan-2-yl)butan-2-one?
4-(furan-2-yl)butan-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)butan-2-one is sourced from PubChem (CID 12780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).