(2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol

C15H20O3 — CID 62325620

IUPAC(2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
SMILESCC1(C)Cc2cc(C(O)C3CCOC3)ccc2O1
InChIInChI=1S/C15H20O3/c1-15(2)8-12-7-10(3-4-13(12)18-15)14(16)11-5-6-17-9-11/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3
InChIKeyDFNCUEXYSUVRIJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.47
Rot. Bonds2

About (2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol

(2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol (PubChem CID 62325620) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
PubChem CID62325620
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
SMILESCC1(C)Cc2cc(C(O)C3CCOC3)ccc2O1
InChIInChI=1S/C15H20O3/c1-15(2)8-12-7-10(3-4-13(12)18-15)14(16)11-5-6-17-9-11/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3
InChIKeyDFNCUEXYSUVRIJ-UHFFFAOYSA-N
XLogP2.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol (CID 62325620) is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol is CC1(C)Cc2cc(C(O)C3CCOC3)ccc2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol?
The InChIKey is DFNCUEXYSUVRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-15(2)8-12-7-10(3-4-13(12)18-15)14(16)11-5-6-17-9-11/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol?
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol has a molecular weight of 248.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 62325620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).