4-ethoxy-5-ethyl-2,3-dimethylphenol

C12H18O2 — CID 162375138

IUPAC4-ethoxy-5-ethyl-2,3-dimethylphenol
SMILESCCOc1c(CC)cc(O)c(C)c1C
InChIInChI=1S/C12H18O2/c1-5-10-7-11(13)8(3)9(4)12(10)14-6-2/h7,13H,5-6H2,1-4H3
InChIKeyFZSLVHFOSSBGSV-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.97
Rot. Bonds3

About 4-ethoxy-5-ethyl-2,3-dimethylphenol

4-ethoxy-5-ethyl-2,3-dimethylphenol (PubChem CID 162375138) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-ethoxy-5-ethyl-2,3-dimethylphenol.

Molecular Properties

Compound Name4-ethoxy-5-ethyl-2,3-dimethylphenol
PubChem CID162375138
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-ethoxy-5-ethyl-2,3-dimethylphenol
SMILESCCOc1c(CC)cc(O)c(C)c1C
InChIInChI=1S/C12H18O2/c1-5-10-7-11(13)8(3)9(4)12(10)14-6-2/h7,13H,5-6H2,1-4H3
InChIKeyFZSLVHFOSSBGSV-UHFFFAOYSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-4,5-diethylbenzene-1,2-diol
CID 154435107
5-ethyl-2,3-dimethylbenzene-1,4-diol
CID 86605484
4-ethoxy-2,6-diethyl-3-methylphenol
CID 162375052
5-ethyl-4-methylbenzene-1,3-diol
CID 12815574
5-ethoxy-4-methylbenzene-1,3-diol
CID 130032613
(2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate
CID 87859446
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
4-ethoxy-3,5-dihydroxybenzoic acid
CID 55283148
2,4-diethoxy-3-methylphenol
CID 11030728
2-ethoxy-3-ethyl-N,5-dimethylbenzamide
CID 138534046
1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone
CID 171033647
5-ethyl-2-methyl-3-propylbenzene-1,4-diol
CID 139946402

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-ethyl-2,3-dimethylphenol?
The IUPAC name of 4-ethoxy-5-ethyl-2,3-dimethylphenol (CID 162375138) is 4-ethoxy-5-ethyl-2,3-dimethylphenol.
What is the SMILES notation for 4-ethoxy-5-ethyl-2,3-dimethylphenol?
The canonical SMILES for 4-ethoxy-5-ethyl-2,3-dimethylphenol is CCOc1c(CC)cc(O)c(C)c1C.
What is the InChIKey of 4-ethoxy-5-ethyl-2,3-dimethylphenol?
The InChIKey is FZSLVHFOSSBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-10-7-11(13)8(3)9(4)12(10)14-6-2/h7,13H,5-6H2,1-4H3.
What are the key properties of 4-ethoxy-5-ethyl-2,3-dimethylphenol?
4-ethoxy-5-ethyl-2,3-dimethylphenol has a molecular weight of 194.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-ethyl-2,3-dimethylphenol is sourced from PubChem (CID 162375138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).