methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

C14H16O4 — CID 102492997

IUPACmethyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](c2ccccc2)[C@@H](C)C(O)O1
InChIInChI=1S/C14H16O4/c1-9-11(10-6-4-3-5-7-10)8-12(14(16)17-2)18-13(9)15/h3-9,11,13,15H,1-2H3/t9-,11+,13?/m1/s1
InChIKeyFPAKLKKDRLWBMV-PPHWZAGGSA-N
MW248.28 g/mol
LogP1.81
Rot. Bonds2

About methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 102492997) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID102492997
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Namemethyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](c2ccccc2)[C@@H](C)C(O)O1
InChIInChI=1S/C14H16O4/c1-9-11(10-6-4-3-5-7-10)8-12(14(16)17-2)18-13(9)15/h3-9,11,13,15H,1-2H3/t9-,11+,13?/m1/s1
InChIKeyFPAKLKKDRLWBMV-PPHWZAGGSA-N
XLogP1.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate
CID 101123064
methyl (4aR,5S,8aS)-5-phenyl-4,4a,5,8a-tetrahydropyrano[2,3-d][1,3]dioxine-7-carboxylate
CID 10731155
propan-2-yl (2S,3R,4S)-2-hydroxy-3-(3-methoxy-3-oxopropyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102314584
methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate
CID 71394241
methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102435709
methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate
CID 14540627
methyl (3R,4R)-4-methyl-3-phenylcycloheptene-1-carboxylate
CID 71108999
methyl (2S,5S)-2-methyl-5-phenyl-2,5-dihydrofuran-3-carboxylate
CID 10560758
methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102157062
methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 10759883
methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 71714778
methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate
CID 70977330

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (CID 102492997) is methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=C[C@H](c2ccccc2)[C@@H](C)C(O)O1.
What is the InChIKey of methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is FPAKLKKDRLWBMV-PPHWZAGGSA-N. The full InChI is InChI=1S/C14H16O4/c1-9-11(10-6-4-3-5-7-10)8-12(14(16)17-2)18-13(9)15/h3-9,11,13,15H,1-2H3/t9-,11+,13?/m1/s1.
What are the key properties of methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 102492997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).