2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol

C16H22O3 — CID 114727398

IUPAC2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
SMILESCCC(CC)(OC)C(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H22O3/c1-5-16(6-2,18-4)15(17)14-10-12-9-11(3)7-8-13(12)19-14/h7-10,15,17H,5-6H2,1-4H3
InChIKeyOTUONIDLKGAWNI-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.98
Rot. Bonds5

About 2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol

2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol (PubChem CID 114727398) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
PubChem CID114727398
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
SMILESCCC(CC)(OC)C(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H22O3/c1-5-16(6-2,18-4)15(17)14-10-12-9-11(3)7-8-13(12)19-14/h7-10,15,17H,5-6H2,1-4H3
InChIKeyOTUONIDLKGAWNI-UHFFFAOYSA-N
XLogP3.98
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 114731389
2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726820
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729833

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol?
The IUPAC name of 2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol (CID 114727398) is 2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol?
The canonical SMILES for 2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol is CCC(CC)(OC)C(O)c1cc2cc(C)ccc2o1.
What is the InChIKey of 2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol?
The InChIKey is OTUONIDLKGAWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-5-16(6-2,18-4)15(17)14-10-12-9-11(3)7-8-13(12)19-14/h7-10,15,17H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol?
2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol is sourced from PubChem (CID 114727398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).