[(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate

C20H20O4 — CID 10758317

IUPAC[(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate
SMILESC[C@@H]1OC=C[C@@H](OC(=O)c2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H20O4/c1-15-19(23-14-16-8-4-2-5-9-16)18(12-13-22-15)24-20(21)17-10-6-3-7-11-17/h2-13,15,18-19H,14H2,1H3/t15-,18+,19+/m0/s1
InChIKeyJYMMMSCMXHSIMR-KFKAGJAMSA-N
MW324.38 g/mol
LogP3.73
Rot. Bonds5

About [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate

[(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate (PubChem CID 10758317) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate.

Molecular Properties

Compound Name[(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate
PubChem CID10758317
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name[(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate
SMILESC[C@@H]1OC=C[C@@H](OC(=O)c2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H20O4/c1-15-19(23-14-16-8-4-2-5-9-16)18(12-13-22-15)24-20(21)17-10-6-3-7-11-17/h2-13,15,18-19H,14H2,1H3/t15-,18+,19+/m0/s1
InChIKeyJYMMMSCMXHSIMR-KFKAGJAMSA-N
XLogP3.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate with MolForge

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Related Compounds

triethyl-[(2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl)oxy]silane
CID 59913106
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
CID 14605865
(2R,3R,4R)-2,3-dimethyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
CID 118517725
[(1S,2S,5R,6R)-2,6-dimethyl-5-phenylmethoxycyclohex-3-en-1-yl] benzoate
CID 10854364
[(2S,3S,4R,5R,6R)-5-benzoyloxy-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate
CID 15173437
[(2S,3R,4R,5S,6S)-6-methoxy-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] benzoate
CID 10434489
[(2S,3S,4R,5R,6S)-5-acetyloxy-6-bromo-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate
CID 101152536
[(1R,4R,5S,6S)-4,5,6-tris(phenylmethoxy)cyclohex-2-en-1-yl] acetate
CID 11396973
[(2S,3R,5S,6R)-2,4,6-trihydroxy-3,5-bis(phenylmethoxy)cyclohexyl] benzoate
CID 71612996
[(1S,5R,6R,7S,8R,9S)-8-acetyloxy-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl] benzoate
CID 100926196
[(3R,6R)-4-benzoyloxy-5-hydroxy-2-methyl-6-phenylmethoxyoxan-3-yl] benzoate
CID 135011829
[(2S,3S,5R)-6-hydroxy-2-methyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 57333728

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate?
The IUPAC name of [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate (CID 10758317) is [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate.
What is the SMILES notation for [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate?
The canonical SMILES for [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate is C[C@@H]1OC=C[C@@H](OC(=O)c2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate?
The InChIKey is JYMMMSCMXHSIMR-KFKAGJAMSA-N. The full InChI is InChI=1S/C20H20O4/c1-15-19(23-14-16-8-4-2-5-9-16)18(12-13-22-15)24-20(21)17-10-6-3-7-11-17/h2-13,15,18-19H,14H2,1H3/t15-,18+,19+/m0/s1.
What are the key properties of [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate?
[(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate has a molecular weight of 324.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate is sourced from PubChem (CID 10758317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).