2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol

C15H22O5 — CID 70309923

IUPAC2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol
SMILESCC(C)c1ccc(C2OC(CO)C(O)C(O)C2O)cc1
InChIInChI=1S/C15H22O5/c1-8(2)9-3-5-10(6-4-9)15-14(19)13(18)12(17)11(7-16)20-15/h3-6,8,11-19H,7H2,1-2H3
InChIKeyWWEHXQFGQDSLQH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.32
Rot. Bonds3

About 2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol

2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol (PubChem CID 70309923) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol
PubChem CID70309923
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol
SMILESCC(C)c1ccc(C2OC(CO)C(O)C(O)C2O)cc1
InChIInChI=1S/C15H22O5/c1-8(2)9-3-5-10(6-4-9)15-14(19)13(18)12(17)11(7-16)20-15/h3-6,8,11-19H,7H2,1-2H3
InChIKeyWWEHXQFGQDSLQH-UHFFFAOYSA-N
XLogP0.32
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol (CID 70309923) is 2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol is CC(C)c1ccc(C2OC(CO)C(O)C(O)C2O)cc1.
What is the InChIKey of 2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol?
The InChIKey is WWEHXQFGQDSLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-8(2)9-3-5-10(6-4-9)15-14(19)13(18)12(17)11(7-16)20-15/h3-6,8,11-19H,7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol?
2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol has a molecular weight of 282.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol is sourced from PubChem (CID 70309923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).