[(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate

C19H20O5 — CID 67760613

IUPAC[(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate
SMILESCO[C@H]1O[C@H](COC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1O
InChIInChI=1S/C19H20O5/c1-22-19-17(20)11-16(24-19)12-23-18(21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19-20H,11-12H2,1H3/t16-,17+,19-/m0/s1
InChIKeyXDKHPWZDJOGOBD-SCTDSRPQSA-N
MW328.36 g/mol
LogP2.63
Rot. Bonds5

About [(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate

[(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate (PubChem CID 67760613) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate.

Molecular Properties

Compound Name[(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate
PubChem CID67760613
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate
SMILESCO[C@H]1O[C@H](COC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1O
InChIInChI=1S/C19H20O5/c1-22-19-17(20)11-16(24-19)12-23-18(21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19-20H,11-12H2,1H3/t16-,17+,19-/m0/s1
InChIKeyXDKHPWZDJOGOBD-SCTDSRPQSA-N
XLogP2.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R,5S)-4-hydroxy-5-(2-methoxyethoxy)oxolan-2-yl]methyl benzoate
CID 70223432
[(1R,2S,4S,6R)-2-methoxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]methyl benzoate
CID 11242511
[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101010370
[(2R,3S,5S)-3-hydroxy-4,5-dimethoxyoxolan-2-yl]methyl benzoate
CID 70844005
[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
CID 10339119
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
[(4R,5R)-5-methoxy-4-methylsulfanylcarbothioyloxyoxolan-2-yl]methyl 4-methylbenzoate
CID 144905681
[(2R,3S,4S,5S)-3-benzoyloxy-4-hydroxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101138455
[(2R,3R,4R,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-methoxyoxan-2-yl]methyl benzoate
CID 100995736
[(2R,3R,4R,5R,6R)-3,5-dibenzoyloxy-4-hydroxy-6-methoxyoxan-2-yl]methyl benzoate
CID 102185208
[(2S,4S,5R,6R)-4,5-dibenzoyloxy-6-bromooxyoxan-2-yl]methyl benzoate
CID 67631238
[(2R,3R,4R,5R,6R)-3,4-dibenzoyloxy-5-hydroxy-6-methoxyoxan-2-yl]methyl benzoate
CID 53473773

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate?
The IUPAC name of [(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate (CID 67760613) is [(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate.
What is the SMILES notation for [(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate?
The canonical SMILES for [(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate is CO[C@H]1O[C@H](COC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1O.
What is the InChIKey of [(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate?
The InChIKey is XDKHPWZDJOGOBD-SCTDSRPQSA-N. The full InChI is InChI=1S/C19H20O5/c1-22-19-17(20)11-16(24-19)12-23-18(21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19-20H,11-12H2,1H3/t16-,17+,19-/m0/s1.
What are the key properties of [(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate?
[(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate has a molecular weight of 328.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5S)-4-hydroxy-5-methoxyoxolan-2-yl]methyl 4-phenylbenzoate is sourced from PubChem (CID 67760613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).