3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol

C13H20O4 — CID 107679911

IUPAC3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol
SMILESCOCCCOCCOc1cc(C)cc(O)c1
InChIInChI=1S/C13H20O4/c1-11-8-12(14)10-13(9-11)17-7-6-16-5-3-4-15-2/h8-10,14H,3-7H2,1-2H3
InChIKeyUWTFWSHKMYNGBO-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.13
Rot. Bonds8

About 3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol

3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol (PubChem CID 107679911) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol
PubChem CID107679911
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol
SMILESCOCCCOCCOc1cc(C)cc(O)c1
InChIInChI=1S/C13H20O4/c1-11-8-12(14)10-13(9-11)17-7-6-16-5-3-4-15-2/h8-10,14H,3-7H2,1-2H3
InChIKeyUWTFWSHKMYNGBO-UHFFFAOYSA-N
XLogP2.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.13
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

3-decoxy-5-methylphenol
CID 107679752
3-(3,3-dimethylbutoxy)-5-methylphenol
CID 107679623
3-methyl-5-(3-methylbutoxy)phenol
CID 103847271
3-hex-5-ynoxy-5-methylphenol
CID 142382541
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol
CID 174673991
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
1-(3-ethoxypropoxy)-3,5-dimethylbenzene
CID 65202414
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene
CID 59223964
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol (CID 107679911) is 3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol is COCCCOCCOc1cc(C)cc(O)c1.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol?
The InChIKey is UWTFWSHKMYNGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-11-8-12(14)10-13(9-11)17-7-6-16-5-3-4-15-2/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol?
3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol has a molecular weight of 240.30 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol is sourced from PubChem (CID 107679911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).