5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid

C15H20O6 — CID 62298871

IUPAC5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid
SMILESCOc1cc(C)cc(OC)c1OCC1CCC(C(=O)O)O1
InChIInChI=1S/C15H20O6/c1-9-6-12(18-2)14(13(7-9)19-3)20-8-10-4-5-11(21-10)15(16)17/h6-7,10-11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyHYAFETCHJZTJLS-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.02
Rot. Bonds6

About 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid

5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid (PubChem CID 62298871) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid
PubChem CID62298871
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid
SMILESCOc1cc(C)cc(OC)c1OCC1CCC(C(=O)O)O1
InChIInChI=1S/C15H20O6/c1-9-6-12(18-2)14(13(7-9)19-3)20-8-10-4-5-11(21-10)15(16)17/h6-7,10-11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyHYAFETCHJZTJLS-UHFFFAOYSA-N
XLogP2.02
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid (CID 62298871) is 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid is COc1cc(C)cc(OC)c1OCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid?
The InChIKey is HYAFETCHJZTJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-9-6-12(18-2)14(13(7-9)19-3)20-8-10-4-5-11(21-10)15(16)17/h6-7,10-11H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid?
5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62298871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).