(5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate

C15H20O5 — CID 59065466

IUPAC(5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate
SMILESCOC1C(O)C(C)OC(C)C1OC(=O)c1ccccc1
InChIInChI=1S/C15H20O5/c1-9-12(16)14(18-3)13(10(2)19-9)20-15(17)11-7-5-4-6-8-11/h4-10,12-14,16H,1-3H3
InChIKeyLWAGEVIEOAOBJQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.40
Rot. Bonds3

About (5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate

(5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate (PubChem CID 59065466) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate.

Molecular Properties

Compound Name(5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate
PubChem CID59065466
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate
SMILESCOC1C(O)C(C)OC(C)C1OC(=O)c1ccccc1
InChIInChI=1S/C15H20O5/c1-9-12(16)14(18-3)13(10(2)19-9)20-15(17)11-7-5-4-6-8-11/h4-10,12-14,16H,1-3H3
InChIKeyLWAGEVIEOAOBJQ-UHFFFAOYSA-N
XLogP1.40
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate
CID 58784411
[(2R,3R,4R,5R)-5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl] benzoate
CID 90733284
[(2S,3R,4R,5S)-4,5-dibenzoyloxy-6-hydroxy-2-methyloxan-3-yl] benzoate
CID 51066637
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-6-hydroxy-2-methyloxan-3-yl] benzoate
CID 23241913
[(1R,2R,3R,4S,5R,6S)-2,3,4-tribenzoyloxy-6-hydroxy-5-methoxycyclohexyl] benzoate
CID 14704229
[(2S,3R,4S,5R,6S)-2,3-dibenzoyloxy-5-hydroxy-6-methyloxan-4-yl] benzoate
CID 95162898
[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-6-methoxy-2-methyloxan-3-yl] benzoate
CID 14094516
[(2S,3R,4R,5S,6R)-4,5-dibenzoyloxy-6-methoxy-2-methyloxan-3-yl] benzoate
CID 14094517
(2,3-dibenzoyloxy-5-hydroxy-6-methyloxan-4-yl) benzoate
CID 3660163
[(2S,3R,4S,5R,6R)-2,3-dibenzoyloxy-5-hydroxy-6-methyloxan-4-yl] benzoate
CID 95162897
[(1R,2S,3R,4R,5R,6R)-3-benzoyloxy-2,5,6-trihydroxy-4-methoxycyclohexyl] benzoate
CID 101098066
[4-benzoyloxy-5-hydroxy-6-(methoxymethyl)-2-methyloxan-3-yl] benzoate
CID 91377621

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate?
The IUPAC name of (5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate (CID 59065466) is (5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate.
What is the SMILES notation for (5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate?
The canonical SMILES for (5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate is COC1C(O)C(C)OC(C)C1OC(=O)c1ccccc1.
What is the InChIKey of (5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate?
The InChIKey is LWAGEVIEOAOBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-9-12(16)14(18-3)13(10(2)19-9)20-15(17)11-7-5-4-6-8-11/h4-10,12-14,16H,1-3H3.
What are the key properties of (5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate?
(5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate has a molecular weight of 280.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate is sourced from PubChem (CID 59065466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).