5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one

C12H12O3 — CID 15647321

IUPAC5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one
SMILESCC1=C(c2ccccc2)C(C)(O)OC1=O
InChIInChI=1S/C12H12O3/c1-8-10(9-6-4-3-5-7-9)12(2,14)15-11(8)13/h3-7,14H,1-2H3
InChIKeySQWQQACPASGFAU-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.73
Rot. Bonds1

About 5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one

5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one (PubChem CID 15647321) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one.

Molecular Properties

Compound Name5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one
PubChem CID15647321
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one
SMILESCC1=C(c2ccccc2)C(C)(O)OC1=O
InChIInChI=1S/C12H12O3/c1-8-10(9-6-4-3-5-7-9)12(2,14)15-11(8)13/h3-7,14H,1-2H3
InChIKeySQWQQACPASGFAU-UHFFFAOYSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one?
The IUPAC name of 5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one (CID 15647321) is 5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one.
What is the SMILES notation for 5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one?
The canonical SMILES for 5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one is CC1=C(c2ccccc2)C(C)(O)OC1=O.
What is the InChIKey of 5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one?
The InChIKey is SQWQQACPASGFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-8-10(9-6-4-3-5-7-9)12(2,14)15-11(8)13/h3-7,14H,1-2H3.
What are the key properties of 5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one?
5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one is sourced from PubChem (CID 15647321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).