methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate

C16H22O6 — CID 101373892

IUPACmethyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@H](CCOCc2ccc(OC)cc2)C[C@@H]1O
InChIInChI=1S/C16H22O6/c1-19-12-5-3-11(4-6-12)10-21-8-7-13-9-14(17)15(22-13)16(18)20-2/h3-6,13-15,17H,7-10H2,1-2H3/t13-,14+,15-/m1/s1
InChIKeyFRHFJBZGARCJRW-QLFBSQMISA-N
MW310.35 g/mol
LogP1.29
Rot. Bonds7

About methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate

methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate (PubChem CID 101373892) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate
PubChem CID101373892
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Namemethyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@H](CCOCc2ccc(OC)cc2)C[C@@H]1O
InChIInChI=1S/C16H22O6/c1-19-12-5-3-11(4-6-12)10-21-8-7-13-9-14(17)15(22-13)16(18)20-2/h3-6,13-15,17H,7-10H2,1-2H3/t13-,14+,15-/m1/s1
InChIKeyFRHFJBZGARCJRW-QLFBSQMISA-N
XLogP1.29
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 138967268
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
(2S,3R)-2-(chloromethyl)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxirane
CID 102400251
(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxirane-2-carbaldehyde
CID 57060202
methyl 2-[(8R,10S)-8-[2-[(4-methoxyphenyl)methoxy]ethyl]-11,11-dimethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-yl]acetate
CID 46844788
(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol
CID 11149422
methyl (2S,3S,4R,6R)-3,4-bis[(4-methoxyphenyl)methoxy]-6-(N'-methylcarbamimidoyl)sulfanyloxane-2-carboxylate
CID 69281332
methyl (2R,4E,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate
CID 10737487
(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol
CID 171123464
(4S,5R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-phenyl-1,3-dioxan-5-ol
CID 11313942
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate?
The IUPAC name of methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate (CID 101373892) is methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate?
The canonical SMILES for methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate is COC(=O)[C@@H]1O[C@H](CCOCc2ccc(OC)cc2)C[C@@H]1O.
What is the InChIKey of methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate?
The InChIKey is FRHFJBZGARCJRW-QLFBSQMISA-N. The full InChI is InChI=1S/C16H22O6/c1-19-12-5-3-11(4-6-12)10-21-8-7-13-9-14(17)15(22-13)16(18)20-2/h3-6,13-15,17H,7-10H2,1-2H3/t13-,14+,15-/m1/s1.
What are the key properties of methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate?
methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate is sourced from PubChem (CID 101373892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).