3-hydroxy-5-methyl-5-phenylfuran-2-one

C11H10O3 — CID 14661185

IUPAC3-hydroxy-5-methyl-5-phenylfuran-2-one
SMILESCC1(c2ccccc2)C=C(O)C(=O)O1
InChIInChI=1S/C11H10O3/c1-11(7-9(12)10(13)14-11)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyKHBVVNIMNLOYMD-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.90
Rot. Bonds1

About 3-hydroxy-5-methyl-5-phenylfuran-2-one

3-hydroxy-5-methyl-5-phenylfuran-2-one (PubChem CID 14661185) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-5-phenylfuran-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methyl-5-phenylfuran-2-one
PubChem CID14661185
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name3-hydroxy-5-methyl-5-phenylfuran-2-one
SMILESCC1(c2ccccc2)C=C(O)C(=O)O1
InChIInChI=1S/C11H10O3/c1-11(7-9(12)10(13)14-11)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyKHBVVNIMNLOYMD-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-butyl-5-methyl-5-phenylfuran-2-one
CID 171726862
(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002
(5R)-2,2,5-trimethyl-5-phenylfuran
CID 129396442
2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one
CID 102262129
(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
CID 129405830
(5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one
CID 171726859
(3S,8aR)-8a-hydroxy-3,6,6,8,8-pentamethyl-3-phenyl-1,2-benzodioxine-5,7-dione
CID 101097100
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
(5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
CID 76969700
3-hydroxy-5-methyl-5-phenyloxolan-2-one
CID 12521154
3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one
CID 171980148
2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one
CID 14546285

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-5-phenylfuran-2-one?
The IUPAC name of 3-hydroxy-5-methyl-5-phenylfuran-2-one (CID 14661185) is 3-hydroxy-5-methyl-5-phenylfuran-2-one.
What is the SMILES notation for 3-hydroxy-5-methyl-5-phenylfuran-2-one?
The canonical SMILES for 3-hydroxy-5-methyl-5-phenylfuran-2-one is CC1(c2ccccc2)C=C(O)C(=O)O1.
What is the InChIKey of 3-hydroxy-5-methyl-5-phenylfuran-2-one?
The InChIKey is KHBVVNIMNLOYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-11(7-9(12)10(13)14-11)8-5-3-2-4-6-8/h2-7,12H,1H3.
What are the key properties of 3-hydroxy-5-methyl-5-phenylfuran-2-one?
3-hydroxy-5-methyl-5-phenylfuran-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-5-phenylfuran-2-one is sourced from PubChem (CID 14661185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).