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

C13H18O3 — CID 115795730

IUPAC1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one
SMILESO=C(CCC1CCCCO1)Cc1ccco1
InChIInChI=1S/C13H18O3/c14-11(10-13-5-3-9-16-13)6-7-12-4-1-2-8-15-12/h3,5,9,12H,1-2,4,6-8,10H2
InChIKeyPKAISCFIHXEOIN-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.74
Rot. Bonds5

About 1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one

1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one (PubChem CID 115795730) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one
PubChem CID115795730
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one
SMILESO=C(CCC1CCCCO1)Cc1ccco1
InChIInChI=1S/C13H18O3/c14-11(10-13-5-3-9-16-13)6-7-12-4-1-2-8-15-12/h3,5,9,12H,1-2,4,6-8,10H2
InChIKeyPKAISCFIHXEOIN-UHFFFAOYSA-N
XLogP2.74
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-oxolan-2-yl]ethyl 2-(furan-2-yl)acetate
CID 97078806
1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952955
1-(4-bromophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952355
4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-one
CID 114966118
1-(4-ethylphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114963451
1-(4-iodophenyl)-4-(oxolan-2-yl)butan-2-one
CID 114974166
1-(1,3-benzothiazol-2-yl)-4-(oxan-2-yl)butan-2-one
CID 63951362
oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate
CID 69398677
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
1-(cyclopentylamino)-3-(furan-2-yl)propan-2-one
CID 116559078
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one?
The IUPAC name of 1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one (CID 115795730) is 1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one.
What is the SMILES notation for 1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one?
The canonical SMILES for 1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one is O=C(CCC1CCCCO1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one?
The InChIKey is PKAISCFIHXEOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-11(10-13-5-3-9-16-13)6-7-12-4-1-2-8-15-12/h3,5,9,12H,1-2,4,6-8,10H2.
What are the key properties of 1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one?
1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one has a molecular weight of 222.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-(oxan-2-yl)butan-2-one is sourced from PubChem (CID 115795730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).