1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol

C14H18O3 — CID 65428621

IUPAC1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc2oc(C(O)C(C)(C)C)cc2c1
InChIInChI=1S/C14H18O3/c1-14(2,3)13(15)12-8-9-7-10(16-4)5-6-11(9)17-12/h5-8,13,15H,1-4H3
InChIKeyFFUTXFNQKFWQBA-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.52
Rot. Bonds2

About 1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol

1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 65428621) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID65428621
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc2oc(C(O)C(C)(C)C)cc2c1
InChIInChI=1S/C14H18O3/c1-14(2,3)13(15)12-8-9-7-10(16-4)5-6-11(9)17-12/h5-8,13,15H,1-4H3
InChIKeyFFUTXFNQKFWQBA-UHFFFAOYSA-N
XLogP3.52
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol (CID 65428621) is 1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol is COc1ccc2oc(C(O)C(C)(C)C)cc2c1.
What is the InChIKey of 1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is FFUTXFNQKFWQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(2,3)13(15)12-8-9-7-10(16-4)5-6-11(9)17-12/h5-8,13,15H,1-4H3.
What are the key properties of 1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 234.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 65428621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).