2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol

C16H26O4 — CID 116712323

IUPAC2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol
SMILESCCOC(C(C)C)C(O)c1ccccc1OCCOC
InChIInChI=1S/C16H26O4/c1-5-19-16(12(2)3)15(17)13-8-6-7-9-14(13)20-11-10-18-4/h6-9,12,15-17H,5,10-11H2,1-4H3
InChIKeyJQDSUDMGGBPJJM-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.81
Rot. Bonds9

About 2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol

2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol (PubChem CID 116712323) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol
PubChem CID116712323
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol
SMILESCCOC(C(C)C)C(O)c1ccccc1OCCOC
InChIInChI=1S/C16H26O4/c1-5-19-16(12(2)3)15(17)13-8-6-7-9-14(13)20-11-10-18-4/h6-9,12,15-17H,5,10-11H2,1-4H3
InChIKeyJQDSUDMGGBPJJM-UHFFFAOYSA-N
XLogP2.81
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557
1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624872
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-ol
CID 105125505
2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104659576
1-(3-chlorobutan-2-yl)-2-(2-methoxyethoxy)benzene
CID 104662451

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol?
The IUPAC name of 2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol (CID 116712323) is 2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol is CCOC(C(C)C)C(O)c1ccccc1OCCOC.
What is the InChIKey of 2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol?
The InChIKey is JQDSUDMGGBPJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-5-19-16(12(2)3)15(17)13-8-6-7-9-14(13)20-11-10-18-4/h6-9,12,15-17H,5,10-11H2,1-4H3.
What are the key properties of 2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol?
2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116712323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).