1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol

C15H24O4 — CID 104564698

IUPAC1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
SMILESCOCCOCCOCC(O)c1cc(C)ccc1C
InChIInChI=1S/C15H24O4/c1-12-4-5-13(2)14(10-12)15(16)11-19-9-8-18-7-6-17-3/h4-5,10,15-16H,6-9,11H2,1-3H3
InChIKeyRSKXLZNENLQYDW-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.02
Rot. Bonds9

About 1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol

1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol (PubChem CID 104564698) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
PubChem CID104564698
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
SMILESCOCCOCCOCC(O)c1cc(C)ccc1C
InChIInChI=1S/C15H24O4/c1-12-4-5-13(2)14(10-12)15(16)11-19-9-8-18-7-6-17-3/h4-5,10,15-16H,6-9,11H2,1-3H3
InChIKeyRSKXLZNENLQYDW-UHFFFAOYSA-N
XLogP2.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.02
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

1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560875
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
2-(cyclohexylmethoxy)-1-(2,5-dimethylphenyl)ethanol
CID 62383414
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
CID 105083992
1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
CID 55233858
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol
CID 114341933
[1-(2,5-dimethylphenyl)-4-methoxy-3-methylbutyl]hydrazine
CID 105292625
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447347
(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
CID 97190981
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
CID 104560552

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol (CID 104564698) is 1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol is COCCOCCOCC(O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol?
The InChIKey is RSKXLZNENLQYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-12-4-5-13(2)14(10-12)15(16)11-19-9-8-18-7-6-17-3/h4-5,10,15-16H,6-9,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol?
1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol has a molecular weight of 268.35 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 104564698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).