(3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol

C13H16O4 — CID 102309158

IUPAC(3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol
SMILESCOc1ccc(/C=C/C2OC[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C13H16O4/c1-16-10-5-2-9(3-6-10)4-7-12-13(15)11(14)8-17-12/h2-7,11-15H,8H2,1H3/b7-4+/t11-,12?,13+/m1/s1
InChIKeyRIRDAUQAFKBBSN-WLPFRBADSA-N
MW236.27 g/mol
LogP0.83
Rot. Bonds3

About (3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol

(3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol (PubChem CID 102309158) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol
PubChem CID102309158
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol
SMILESCOc1ccc(/C=C/C2OC[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C13H16O4/c1-16-10-5-2-9(3-6-10)4-7-12-13(15)11(14)8-17-12/h2-7,11-15H,8H2,1H3/b7-4+/t11-,12?,13+/m1/s1
InChIKeyRIRDAUQAFKBBSN-WLPFRBADSA-N
XLogP0.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
CID 139734184
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
methyl (2R,3R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxooxane-3-carboxylate
CID 146652851
(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol
CID 70793169
(3aR,5R,6S,6aR)-6-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 101250823
(2S,3S)-2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]oxane
CID 102385055
[6-[3-(4-methoxyphenyl)prop-2-enoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 3-(4-methoxyphenyl)prop-2-enoate
CID 76745950
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-oxathiane
CID 11021774
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
2-[2-(4-methoxyphenyl)ethenoxy]oxane
CID 70261442

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol?
The IUPAC name of (3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol (CID 102309158) is (3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol.
What is the SMILES notation for (3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol?
The canonical SMILES for (3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol is COc1ccc(/C=C/C2OC[C@@H](O)[C@@H]2O)cc1.
What is the InChIKey of (3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol?
The InChIKey is RIRDAUQAFKBBSN-WLPFRBADSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-10-5-2-9(3-6-10)4-7-12-13(15)11(14)8-17-12/h2-7,11-15H,8H2,1H3/b7-4+/t11-,12?,13+/m1/s1.
What are the key properties of (3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol?
(3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol has a molecular weight of 236.27 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol is sourced from PubChem (CID 102309158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).