4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol

C13H20O3 — CID 102039369

IUPAC4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol
SMILESCCOC(Cc1cc(C)c(O)c(C)c1)OC
InChIInChI=1S/C13H20O3/c1-5-16-12(15-4)8-11-6-9(2)13(14)10(3)7-11/h6-7,12,14H,5,8H2,1-4H3
InChIKeyDSBIPHIECJACGN-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.56
Rot. Bonds5

About 4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol

4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol (PubChem CID 102039369) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol
PubChem CID102039369
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol
SMILESCCOC(Cc1cc(C)c(O)c(C)c1)OC
InChIInChI=1S/C13H20O3/c1-5-16-12(15-4)8-11-6-9(2)13(14)10(3)7-11/h6-7,12,14H,5,8H2,1-4H3
InChIKeyDSBIPHIECJACGN-UHFFFAOYSA-N
XLogP2.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-(4-hydroxy-3,5-dimethylphenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 23378247
4-ethyl-2,6-dimethylphenol;methane
CID 159618487
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408
diphosphanyl (2S)-2-[(4-hydroxy-3,5-dimethylphenyl)methyl]butanoate
CID 158404827
3,4-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanedioic acid
CID 67989850
4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol
CID 43117941
2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene
CID 146004844
4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol
CID 67061686
2,6-dimethyl-4-pentylphenol
CID 22625507
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
methyl 3-(3-amino-4-hydroxy-5-methylphenyl)-2-methylpropanoate
CID 175544277
ethyl 3-(3,5-difluoro-4-hydroxyphenyl)-2-ethoxypropanoate
CID 59419836

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol?
The IUPAC name of 4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol (CID 102039369) is 4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol is CCOC(Cc1cc(C)c(O)c(C)c1)OC.
What is the InChIKey of 4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol?
The InChIKey is DSBIPHIECJACGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-5-16-12(15-4)8-11-6-9(2)13(14)10(3)7-11/h6-7,12,14H,5,8H2,1-4H3.
What are the key properties of 4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol?
4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol has a molecular weight of 224.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-2-methoxyethyl)-2,6-dimethylphenol is sourced from PubChem (CID 102039369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).