1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol

C15H24O4 — CID 116810260

IUPAC1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol
SMILESCCOC(C)(CC)C(O)c1c(OC)cccc1OC
InChIInChI=1S/C15H24O4/c1-6-15(3,19-7-2)14(16)13-11(17-4)9-8-10-12(13)18-5/h8-10,14,16H,6-7H2,1-5H3
InChIKeyBYGUJQQSHGVTIZ-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.94
Rot. Bonds7

About 1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol

1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol (PubChem CID 116810260) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol
PubChem CID116810260
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol
SMILESCCOC(C)(CC)C(O)c1c(OC)cccc1OC
InChIInChI=1S/C15H24O4/c1-6-15(3,19-7-2)14(16)13-11(17-4)9-8-10-12(13)18-5/h8-10,14,16H,6-7H2,1-5H3
InChIKeyBYGUJQQSHGVTIZ-UHFFFAOYSA-N
XLogP2.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol
CID 116752360
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol
CID 116752532
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751948
1-(2,6-dimethoxyphenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 115838545
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 116752097
2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol
CID 114053788
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
2-ethoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116752175
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanol
CID 114980746
1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol
CID 116810152
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol (CID 116810260) is 1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol is CCOC(C)(CC)C(O)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol?
The InChIKey is BYGUJQQSHGVTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-15(3,19-7-2)14(16)13-11(17-4)9-8-10-12(13)18-5/h8-10,14,16H,6-7H2,1-5H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol?
1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol has a molecular weight of 268.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol is sourced from PubChem (CID 116810260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).