methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate

C13H14O3 — CID 10560758

IUPACmethyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate
SMILESCOC(=O)C1=C[C@@H](c2ccccc2)O[C@H]1C
InChIInChI=1S/C13H14O3/c1-9-11(13(14)15-2)8-12(16-9)10-6-4-3-5-7-10/h3-9,12H,1-2H3/t9-,12-/m0/s1
InChIKeyMECKXYMWZFOIRJ-CABZTGNLSA-N
MW218.25 g/mol
LogP2.25
Rot. Bonds2

About methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate

methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate (PubChem CID 10560758) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate
PubChem CID10560758
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namemethyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate
SMILESCOC(=O)C1=C[C@@H](c2ccccc2)O[C@H]1C
InChIInChI=1S/C13H14O3/c1-9-11(13(14)15-2)8-12(16-9)10-6-4-3-5-7-10/h3-9,12H,1-2H3/t9-,12-/m0/s1
InChIKeyMECKXYMWZFOIRJ-CABZTGNLSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-methoxy-2-methyl-2,5-dihydrofuran-3-carboxylate
CID 135006582
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate
CID 613667
methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate
CID 134847031
methyl 2,2-dimethyl-3-phenyl-3H-furan-4-carboxylate
CID 142911838
methyl (5S)-5-phenylcyclopentene-1-carboxylate
CID 11401436
methyl (3R,6R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-3,6-dihydrooxazine-4-carboxylate
CID 102309534
methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102492997
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 132543701
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
methyl 4-[(2R,6S)-6-(4-methoxycarbonylphenyl)-4-phenyloxan-2-yl]benzoate
CID 42604041

Frequently Asked Questions

What is the IUPAC name of methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate?
The IUPAC name of methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate (CID 10560758) is methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate.
What is the SMILES notation for methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate?
The canonical SMILES for methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate is COC(=O)C1=C[C@@H](c2ccccc2)O[C@H]1C.
What is the InChIKey of methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate?
The InChIKey is MECKXYMWZFOIRJ-CABZTGNLSA-N. The full InChI is InChI=1S/C13H14O3/c1-9-11(13(14)15-2)8-12(16-9)10-6-4-3-5-7-10/h3-9,12H,1-2H3/t9-,12-/m0/s1.
What are the key properties of methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate?
methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate has a molecular weight of 218.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate is sourced from PubChem (CID 10560758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).