methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate

C13H12O4 — CID 102466469

IUPACmethyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate
SMILESCOC(=O)C1=CO[C@@H](c2ccccc2)CC1=O
InChIInChI=1S/C13H12O4/c1-16-13(15)10-8-17-12(7-11(10)14)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3/t12-/m1/s1
InChIKeyQZHWRUKSTYDCOR-GFCCVEGCSA-N
MW232.24 g/mol
LogP1.77
Rot. Bonds2

About methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate

methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate (PubChem CID 102466469) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate
PubChem CID102466469
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Namemethyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate
SMILESCOC(=O)C1=CO[C@@H](c2ccccc2)CC1=O
InChIInChI=1S/C13H12O4/c1-16-13(15)10-8-17-12(7-11(10)14)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3/t12-/m1/s1
InChIKeyQZHWRUKSTYDCOR-GFCCVEGCSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate
CID 102466475
(2R)-5-hydroxy-2-phenyl-2,3-dihydropyran-4-one
CID 13147940
5-phenyloxolane-2,3-dione
CID 14450727
methyl 3-methoxy-5-oxocyclopentene-1-carboxylate
CID 54438994
methyl 4-[(2R,6S)-6-(4-methoxycarbonylphenyl)-4-phenyloxan-2-yl]benzoate
CID 42604041
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
methyl 3-methyl-5-oxocyclopentene-1-carboxylate
CID 90775722
methyl 4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]benzoate
CID 121301339
N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide
CID 19837990
methyl (5S)-2-oxo-5-phenyloxolane-3-carboxylate
CID 102111765
methyl 3-(7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl)benzoate
CID 121301307
2-(7-methoxy-4-oxo-2-phenyl-2,3,5,6,7,8-hexahydrochromen-5-yl)acetic acid
CID 162942243

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate?
The IUPAC name of methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate (CID 102466469) is methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate.
What is the SMILES notation for methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate?
The canonical SMILES for methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate is COC(=O)C1=CO[C@@H](c2ccccc2)CC1=O.
What is the InChIKey of methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate?
The InChIKey is QZHWRUKSTYDCOR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12O4/c1-16-13(15)10-8-17-12(7-11(10)14)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate?
methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate is sourced from PubChem (CID 102466469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).