4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol

C13H16O3 — CID 16758843

IUPAC4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol
SMILESCOC1C(O)COC1/C=C/c1ccccc1
InChIInChI=1S/C13H16O3/c1-15-13-11(14)9-16-12(13)8-7-10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/b8-7+
InChIKeyAAXZPFFWKBQSAD-BQYQJAHWSA-N
MW220.27 g/mol
LogP1.47
Rot. Bonds3

About 4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol

4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol (PubChem CID 16758843) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol.

Molecular Properties

Compound Name4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol
PubChem CID16758843
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol
SMILESCOC1C(O)COC1/C=C/c1ccccc1
InChIInChI=1S/C13H16O3/c1-15-13-11(14)9-16-12(13)8-7-10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/b8-7+
InChIKeyAAXZPFFWKBQSAD-BQYQJAHWSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol?
The IUPAC name of 4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol (CID 16758843) is 4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol.
What is the SMILES notation for 4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol?
The canonical SMILES for 4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol is COC1C(O)COC1/C=C/c1ccccc1.
What is the InChIKey of 4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol?
The InChIKey is AAXZPFFWKBQSAD-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-13-11(14)9-16-12(13)8-7-10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/b8-7+.
What are the key properties of 4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol?
4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol has a molecular weight of 220.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[(E)-2-phenylethenyl]oxolan-3-ol is sourced from PubChem (CID 16758843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).