5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one

C12H16O4 — CID 175639852

IUPAC5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one
SMILESCC(=O)CCCc1ccc(C(=O)C(C)O)o1
InChIInChI=1S/C12H16O4/c1-8(13)4-3-5-10-6-7-11(16-10)12(15)9(2)14/h6-7,9,14H,3-5H2,1-2H3
InChIKeyCJYSXSUPBIDSPE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.75
Rot. Bonds6

About 5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one

5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one (PubChem CID 175639852) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one.

Molecular Properties

Compound Name5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one
PubChem CID175639852
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one
SMILESCC(=O)CCCc1ccc(C(=O)C(C)O)o1
InChIInChI=1S/C12H16O4/c1-8(13)4-3-5-10-6-7-11(16-10)12(15)9(2)14/h6-7,9,14H,3-5H2,1-2H3
InChIKeyCJYSXSUPBIDSPE-UHFFFAOYSA-N
XLogP1.75
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-1-[5-(hydroxymethyl)furan-2-yl]butan-1-one
CID 123406498
5-[4-(1-amino-1,2-dihydroxypropyl)phenyl]pentan-2-one
CID 152713864
5-(4-butylphenyl)pentan-2-one;ethane
CID 143473141
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155
5-phenylpentan-2-one
CID 16701
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-hexylfuran-2-carboxylic acid
CID 86015959
4-[4-(4-oxopentyl)phenyl]butylcarbamic acid
CID 91326870
5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one
CID 83934635
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
4-[5-[1-(furan-2-yl)ethyl]furan-2-yl]butan-2-one
CID 4580793
5-[4-(ethylamino)phenyl]pentan-2-one
CID 71063356

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one?
The IUPAC name of 5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one (CID 175639852) is 5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one.
What is the SMILES notation for 5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one?
The canonical SMILES for 5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one is CC(=O)CCCc1ccc(C(=O)C(C)O)o1.
What is the InChIKey of 5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one?
The InChIKey is CJYSXSUPBIDSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(13)4-3-5-10-6-7-11(16-10)12(15)9(2)14/h6-7,9,14H,3-5H2,1-2H3.
What are the key properties of 5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one?
5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one has a molecular weight of 224.26 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-hydroxypropanoyl)furan-2-yl]pentan-2-one is sourced from PubChem (CID 175639852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).