2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol

C15H20O6 — CID 3340349

IUPAC2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol
SMILESOCC1OC(OCC=Cc2ccccc2)C(O)C(O)C1O
InChIInChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2
InChIKeyKHPCPRHQVVSZAH-UHFFFAOYSA-N
MW296.32 g/mol
LogP-0.48
Rot. Bonds5

About 2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol

2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol (PubChem CID 3340349) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol
PubChem CID3340349
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol
SMILESOCC1OC(OCC=Cc2ccccc2)C(O)C(O)C1O
InChIInChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2
InChIKeyKHPCPRHQVVSZAH-UHFFFAOYSA-N
XLogP-0.48
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol (CID 3340349) is 2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol is OCC1OC(OCC=Cc2ccccc2)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol?
The InChIKey is KHPCPRHQVVSZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2.
What are the key properties of 2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol?
2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol has a molecular weight of 296.32 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(3-phenylprop-2-enoxy)oxane-3,4,5-triol is sourced from PubChem (CID 3340349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).