(5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one

C12H12O3 — CID 129363713

IUPAC(5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one
SMILESO=C1C=C[C@@](O)(CCc2ccccc2)O1
InChIInChI=1S/C12H12O3/c13-11-7-9-12(14,15-11)8-6-10-4-2-1-3-5-10/h1-5,7,9,14H,6,8H2/t12-/m1/s1
InChIKeyPARVGYYUPWYHCI-GFCCVEGCSA-N
MW204.23 g/mol
LogP1.42
Rot. Bonds3

About (5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one

(5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one (PubChem CID 129363713) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one
PubChem CID129363713
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name(5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one
SMILESO=C1C=C[C@@](O)(CCc2ccccc2)O1
InChIInChI=1S/C12H12O3/c13-11-7-9-12(14,15-11)8-6-10-4-2-1-3-5-10/h1-5,7,9,14H,6,8H2/t12-/m1/s1
InChIKeyPARVGYYUPWYHCI-GFCCVEGCSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one?
The IUPAC name of (5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one (CID 129363713) is (5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one.
What is the SMILES notation for (5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one?
The canonical SMILES for (5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one is O=C1C=C[C@@](O)(CCc2ccccc2)O1.
What is the InChIKey of (5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one?
The InChIKey is PARVGYYUPWYHCI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12O3/c13-11-7-9-12(14,15-11)8-6-10-4-2-1-3-5-10/h1-5,7,9,14H,6,8H2/t12-/m1/s1.
What are the key properties of (5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one?
(5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one is sourced from PubChem (CID 129363713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).