3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol

C14H22O5 — CID 104564323

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
SMILESCOCCOCCOCCOc1cccc(O)c1C
InChIInChI=1S/C14H22O5/c1-12-13(15)4-3-5-14(12)19-11-10-18-9-8-17-7-6-16-2/h3-5,15H,6-11H2,1-2H3
InChIKeyAMQLCOMXIYOKJG-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.76
Rot. Bonds10

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol (PubChem CID 104564323) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
PubChem CID104564323
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
SMILESCOCCOCCOCCOc1cccc(O)c1C
InChIInChI=1S/C14H22O5/c1-12-13(15)4-3-5-14(12)19-11-10-18-9-8-17-7-6-16-2/h3-5,15H,6-11H2,1-2H3
InChIKeyAMQLCOMXIYOKJG-UHFFFAOYSA-N
XLogP1.76
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.76
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

3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene
CID 10859628
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene;ethane
CID 142063314
3-(2-aminoethoxy)-2-methylphenol
CID 83620006
1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine
CID 143655445
[3-(2-methoxyethoxy)-2-methylphenyl]methanol
CID 67112208
[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid
CID 131700786
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol
CID 139058411
2-methyl-3-(3-phenoxypropoxy)phenol
CID 62936106

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol (CID 104564323) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol is COCCOCCOCCOc1cccc(O)c1C.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol?
The InChIKey is AMQLCOMXIYOKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-12-13(15)4-3-5-14(12)19-11-10-18-9-8-17-7-6-16-2/h3-5,15H,6-11H2,1-2H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol has a molecular weight of 270.32 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol is sourced from PubChem (CID 104564323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).