2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol

C15H20O3 — CID 114727377

IUPAC2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCOC(C)(C)C(O)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H20O3/c1-5-17-15(3,4)14(16)12-9-11-8-6-7-10(2)13(11)18-12/h6-9,14,16H,5H2,1-4H3
InChIKeyIYFOHZUFRZEXAP-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.59
Rot. Bonds4

About 2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol

2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 114727377) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
PubChem CID114727377
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCOC(C)(C)C(O)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H20O3/c1-5-17-15(3,4)14(16)12-9-11-8-6-7-10(2)13(11)18-12/h6-9,14,16H,5H2,1-4H3
InChIKeyIYFOHZUFRZEXAP-UHFFFAOYSA-N
XLogP3.59
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 114731309
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723269
3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
2-ethoxy-2-methyl-1-(2-methylphenyl)propan-1-ol
CID 116713777
3,3,3-trifluoro-1-(7-methyl-1-benzofuran-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312648
2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
CID 114729527
2-(7-methyl-1-benzofuran-2-yl)butanoic acid
CID 82614755
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
CID 114726451
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol (CID 114727377) is 2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol is CCOC(C)(C)C(O)c1cc2cccc(C)c2o1.
What is the InChIKey of 2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is IYFOHZUFRZEXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-17-15(3,4)14(16)12-9-11-8-6-7-10(2)13(11)18-12/h6-9,14,16H,5H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol?
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 114727377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).