1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol

C16H26O4 — CID 116752634

IUPAC1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol
SMILESCCOC(CC)(CC)C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H26O4/c1-6-16(7-2,20-8-3)15(17)13-11-12(18-4)9-10-14(13)19-5/h9-11,15,17H,6-8H2,1-5H3
InChIKeyCRQIEPBYAAIASV-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.33
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol

1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol (PubChem CID 116752634) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol
PubChem CID116752634
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol
SMILESCCOC(CC)(CC)C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H26O4/c1-6-16(7-2,20-8-3)15(17)13-11-12(18-4)9-10-14(13)19-5/h9-11,15,17H,6-8H2,1-5H3
InChIKeyCRQIEPBYAAIASV-UHFFFAOYSA-N
XLogP3.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine
CID 116759700
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752655

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol (CID 116752634) is 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol is CCOC(CC)(CC)C(O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol?
The InChIKey is CRQIEPBYAAIASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-6-16(7-2,20-8-3)15(17)13-11-12(18-4)9-10-14(13)19-5/h9-11,15,17H,6-8H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol?
1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol is sourced from PubChem (CID 116752634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).