2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol

C12H16O3 — CID 174765051

IUPAC2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCOCC1Oc2cc(C)cc(C)c2C1O
InChIInChI=1S/C12H16O3/c1-7-4-8(2)11-9(5-7)15-10(6-14-3)12(11)13/h4-5,10,12-13H,6H2,1-3H3
InChIKeyCQXFIAAJSYVZCK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.74
Rot. Bonds2

About 2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol

2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 174765051) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
PubChem CID174765051
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCOCC1Oc2cc(C)cc(C)c2C1O
InChIInChI=1S/C12H16O3/c1-7-4-8(2)11-9(5-7)15-10(6-14-3)12(11)13/h4-5,10,12-13H,6H2,1-3H3
InChIKeyCQXFIAAJSYVZCK-UHFFFAOYSA-N
XLogP1.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol (CID 174765051) is 2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol is COCC1Oc2cc(C)cc(C)c2C1O.
What is the InChIKey of 2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is CQXFIAAJSYVZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-7-4-8(2)11-9(5-7)15-10(6-14-3)12(11)13/h4-5,10,12-13H,6H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol?
2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 208.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 174765051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).