(2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one

C12H12O3 — CID 134943158

IUPAC(2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one
SMILESCC1=C[C@H]([C@@H](O)c2ccccc2)OC1=O
InChIInChI=1S/C12H12O3/c1-8-7-10(15-12(8)14)11(13)9-5-3-2-4-6-9/h2-7,10-11,13H,1H3/t10-,11+/m1/s1
InChIKeyJFPCBRPHVBIYNC-MNOVXSKESA-N
MW204.23 g/mol
LogP1.59
Rot. Bonds2

About (2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one

(2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one (PubChem CID 134943158) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one
PubChem CID134943158
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name(2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one
SMILESCC1=C[C@H]([C@@H](O)c2ccccc2)OC1=O
InChIInChI=1S/C12H12O3/c1-8-7-10(15-12(8)14)11(13)9-5-3-2-4-6-9/h2-7,10-11,13H,1H3/t10-,11+/m1/s1
InChIKeyJFPCBRPHVBIYNC-MNOVXSKESA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(S)-(4-methoxyanilino)-phenylmethyl]-4-methyl-2H-furan-5-one
CID 100993365
(5S,7Z)-5-[(R)-hydroxy(phenyl)methyl]-8-methyl-2,3-dihydro-1,4-dioxocin-6-one
CID 11195983
(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
CID 11229284
ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate
CID 101462180
tert-butyl N-[(1S)-1-(4-methyl-5-oxo-2H-furan-2-yl)-2-phenylethyl]carbamate
CID 11507971
methyl (2R,3R)-3-[(R)-hydroxy(phenyl)methyl]-2-methyloxirane-2-carboxylate
CID 139260373
(5S)-5-[(4R,5R)-5-[(R)-hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 24767235
ethyl (2S,3R)-3-[(R)-hydroxy(phenyl)methyl]oxirane-2-carboxylate
CID 11481451
(3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one
CID 135014214
ethyl (2R,3S)-3-[(S)-hydroxy(phenyl)methyl]oxirane-2-carboxylate
CID 101423179
4-phenyl-2-propan-2-yl-2H-furan-5-one
CID 10703288
5-[hydroxy(phenyl)methyl]-2,2,6-trimethyl-1,3-dioxin-4-one
CID 15535898

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one?
The IUPAC name of (2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one (CID 134943158) is (2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one is CC1=C[C@H]([C@@H](O)c2ccccc2)OC1=O.
What is the InChIKey of (2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one?
The InChIKey is JFPCBRPHVBIYNC-MNOVXSKESA-N. The full InChI is InChI=1S/C12H12O3/c1-8-7-10(15-12(8)14)11(13)9-5-3-2-4-6-9/h2-7,10-11,13H,1H3/t10-,11+/m1/s1.
What are the key properties of (2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one?
(2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one has a molecular weight of 204.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one is sourced from PubChem (CID 134943158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).