4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one

C8H12O3 — CID 45083191

IUPAC4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one
SMILESCC[C@@H](O)C1=C(C)COC1=O
InChIInChI=1S/C8H12O3/c1-3-6(9)7-5(2)4-11-8(7)10/h6,9H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyJISWMWLYNKBCGV-ZCFIWIBFSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds2

About 4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one

4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one (PubChem CID 45083191) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one
PubChem CID45083191
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one
SMILESCC[C@@H](O)C1=C(C)COC1=O
InChIInChI=1S/C8H12O3/c1-3-6(9)7-5(2)4-11-8(7)10/h6,9H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyJISWMWLYNKBCGV-ZCFIWIBFSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one?
The IUPAC name of 4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one (CID 45083191) is 4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for 4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for 4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one is CC[C@@H](O)C1=C(C)COC1=O.
What is the InChIKey of 4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one?
The InChIKey is JISWMWLYNKBCGV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-6(9)7-5(2)4-11-8(7)10/h6,9H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of 4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one?
4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one has a molecular weight of 156.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 45083191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).