2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol

C16H26O5 — CID 104564711

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCOCCOCCOCC(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26O5/c1-13(2)21-15-6-4-14(5-7-15)16(17)12-20-11-10-19-9-8-18-3/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyBYYSPMOBIPWKCZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.19
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol

2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 104564711) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID104564711
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCOCCOCCOCC(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26O5/c1-13(2)21-15-6-4-14(5-7-15)16(17)12-20-11-10-19-9-8-18-3/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyBYYSPMOBIPWKCZ-UHFFFAOYSA-N
XLogP2.19
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.19
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-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 106204040
3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 102927565
1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
CID 63685305
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
3-hydroxy-3-(4-propan-2-yloxyphenyl)propanenitrile
CID 79116482
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927747
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63685624
1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
CID 43531596

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol (CID 104564711) is 2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol is COCCOCCOCC(O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is BYYSPMOBIPWKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-13(2)21-15-6-4-14(5-7-15)16(17)12-20-11-10-19-9-8-18-3/h4-7,13,16-17H,8-12H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol?
2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 298.38 g/mol, XLogP of 2.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 104564711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).