(5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate

C15H20O6 — CID 58784411

IUPAC(5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate
SMILESCOC1OC(C)C(OC(=O)c2ccccc2)C(OC)C1O
InChIInChI=1S/C15H20O6/c1-9-12(13(18-2)11(16)15(19-3)20-9)21-14(17)10-7-5-4-6-8-10/h4-9,11-13,15-16H,1-3H3
InChIKeyQZECQFZJVQHAJZ-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.98
Rot. Bonds4

About (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate

(5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate (PubChem CID 58784411) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate.

Molecular Properties

Compound Name(5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate
PubChem CID58784411
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate
SMILESCOC1OC(C)C(OC(=O)c2ccccc2)C(OC)C1O
InChIInChI=1S/C15H20O6/c1-9-12(13(18-2)11(16)15(19-3)20-9)21-14(17)10-7-5-4-6-8-10/h4-9,11-13,15-16H,1-3H3
InChIKeyQZECQFZJVQHAJZ-UHFFFAOYSA-N
XLogP0.98
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R,4R,5R)-5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl] benzoate
CID 90733284
(5-hydroxy-4-methoxy-2,6-dimethyloxan-3-yl) benzoate
CID 59065466
[(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
[(2S,3S,4S,5S)-2-(bromomethyl)-5-hydroxy-4,6-dimethoxyoxan-3-yl] benzoate
CID 91300658
(4,5,6-tribenzoyloxy-2-methyloxan-3-yl) benzoate
CID 4091950
[(2R,3S,4S,5S)-3-benzoyloxy-4-hydroxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101138455
methyl (2S,3S,4R,5R,6R)-3,4-dibenzoyloxy-5-hydroxy-6-methoxyoxane-2-carboxylate
CID 10455350
[(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
[(3R,6R)-4-benzoyloxy-5-hydroxy-2-methyl-6-phenylmethoxyoxan-3-yl] benzoate
CID 135011829
[(1R,2R,3R,4S,5R,6S)-2,3,4-tribenzoyloxy-6-hydroxy-5-methoxycyclohexyl] benzoate
CID 14704229

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate?
The IUPAC name of (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate (CID 58784411) is (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate.
What is the SMILES notation for (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate?
The canonical SMILES for (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate is COC1OC(C)C(OC(=O)c2ccccc2)C(OC)C1O.
What is the InChIKey of (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate?
The InChIKey is QZECQFZJVQHAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-9-12(13(18-2)11(16)15(19-3)20-9)21-14(17)10-7-5-4-6-8-10/h4-9,11-13,15-16H,1-3H3.
What are the key properties of (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate?
(5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate has a molecular weight of 296.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-4,6-dimethoxy-2-methyloxan-3-yl) benzoate is sourced from PubChem (CID 58784411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).