1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol

C16H26O4 — CID 116713378

IUPAC1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol
SMILESCCOC(C(O)c1ccc(OC)cc1OC)C(C)(C)C
InChIInChI=1S/C16H26O4/c1-7-20-15(16(2,3)4)14(17)12-9-8-11(18-5)10-13(12)19-6/h8-10,14-15,17H,7H2,1-6H3
InChIKeyWQCHASWUDVIACY-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.19
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol

1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol (PubChem CID 116713378) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol
PubChem CID116713378
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol
SMILESCCOC(C(O)c1ccc(OC)cc1OC)C(C)(C)C
InChIInChI=1S/C16H26O4/c1-7-20-15(16(2,3)4)14(17)12-9-8-11(18-5)10-13(12)19-6/h8-10,14-15,17H,7H2,1-6H3
InChIKeyWQCHASWUDVIACY-UHFFFAOYSA-N
XLogP3.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
CID 116713087
[1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273908
3-bromo-1-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 171860275
1-(2,4-dimethoxyphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724315
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064671
1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315275
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 103395874
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol (CID 116713378) is 1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol is CCOC(C(O)c1ccc(OC)cc1OC)C(C)(C)C.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol?
The InChIKey is WQCHASWUDVIACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-7-20-15(16(2,3)4)14(17)12-9-8-11(18-5)10-13(12)19-6/h8-10,14-15,17H,7H2,1-6H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol?
1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 116713378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).