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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Related Compounds

1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65438890
1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2,2-dimethylpropan-1-ol
CID 65438398
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525
(3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one
CID 71541115
2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
CID 114727398
(4-methoxythiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836341
2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726820
(3,6-dimethoxy-2-benzofuran-1-yl)-(5-methyl-1-benzofuran-2-yl)methanol;hydrate
CID 134122231
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
6-methoxy-2-oxochromene-3-sulfonamide
CID 164608873
3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol
CID 170887613
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206

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).