2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol

C11H14O3 — CID 15160990

IUPAC2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol
SMILESCC1(C)c2cc(O)ccc2OC1CO
InChIInChI=1S/C11H14O3/c1-11(2)8-5-7(13)3-4-9(8)14-10(11)6-12/h3-5,10,12-13H,6H2,1-2H3
InChIKeyALRYLTIRVVMKOP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.42
Rot. Bonds1

About 2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol

2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol (PubChem CID 15160990) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol
PubChem CID15160990
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol
SMILESCC1(C)c2cc(O)ccc2OC1CO
InChIInChI=1S/C11H14O3/c1-11(2)8-5-7(13)3-4-9(8)14-10(11)6-12/h3-5,10,12-13H,6H2,1-2H3
InChIKeyALRYLTIRVVMKOP-UHFFFAOYSA-N
XLogP1.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol?
The IUPAC name of 2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol (CID 15160990) is 2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol?
The canonical SMILES for 2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol is CC1(C)c2cc(O)ccc2OC1CO.
What is the InChIKey of 2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol?
The InChIKey is ALRYLTIRVVMKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2)8-5-7(13)3-4-9(8)14-10(11)6-12/h3-5,10,12-13H,6H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol?
2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol has a molecular weight of 194.23 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol is sourced from PubChem (CID 15160990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).