1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol

C16H26O5 — CID 106448693

IUPAC1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
SMILESCOc1ccc(OC)c(C(O)COCCOCC(C)C)c1
InChIInChI=1S/C16H26O5/c1-12(2)10-20-7-8-21-11-15(17)14-9-13(18-3)5-6-16(14)19-4/h5-6,9,12,15,17H,7-8,10-11H2,1-4H3
InChIKeyVTBLOJPDURVHAW-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.43
Rot. Bonds10

About 1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol

1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol (PubChem CID 106448693) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
PubChem CID106448693
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
SMILESCOc1ccc(OC)c(C(O)COCCOCC(C)C)c1
InChIInChI=1S/C16H26O5/c1-12(2)10-20-7-8-21-11-15(17)14-9-13(18-3)5-6-16(14)19-4/h5-6,9,12,15,17H,7-8,10-11H2,1-4H3
InChIKeyVTBLOJPDURVHAW-UHFFFAOYSA-N
XLogP2.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopentylmethoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 66321390
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401416
3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 112629921
1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
CID 60969431
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 60970630
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 110907757

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol (CID 106448693) is 1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol is COc1ccc(OC)c(C(O)COCCOCC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol?
The InChIKey is VTBLOJPDURVHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-12(2)10-20-7-8-21-11-15(17)14-9-13(18-3)5-6-16(14)19-4/h5-6,9,12,15,17H,7-8,10-11H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol?
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol has a molecular weight of 298.38 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol is sourced from PubChem (CID 106448693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).