ethanol;2,3,4-trimethylphenol

C11H18O2 — CID 162191958

IUPACethanol;2,3,4-trimethylphenol
SMILESCCO.Cc1ccc(O)c(C)c1C
InChIInChI=1S/C9H12O.C2H6O/c1-6-4-5-9(10)8(3)7(6)2;1-2-3/h4-5,10H,1-3H3;3H,2H2,1H3
InChIKeyZQKORLXOZKQCEM-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.32
Rot. Bonds

About ethanol;2,3,4-trimethylphenol

ethanol;2,3,4-trimethylphenol (PubChem CID 162191958) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethanol;2,3,4-trimethylphenol.

Molecular Properties

Compound Nameethanol;2,3,4-trimethylphenol
PubChem CID162191958
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethanol;2,3,4-trimethylphenol
SMILESCCO.Cc1ccc(O)c(C)c1C
InChIInChI=1S/C9H12O.C2H6O/c1-6-4-5-9(10)8(3)7(6)2;1-2-3/h4-5,10H,1-3H3;3H,2H2,1H3
InChIKeyZQKORLXOZKQCEM-UHFFFAOYSA-N
XLogP2.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

formic acid;2,3,4-trimethylphenol
CID 67747401
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
bis(cyclopenta-1,3-diene);bis(2,3,4-trimethylphenol);zirconium(2+)
CID 141004762
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
4-[1,1-bis(4-hydroxy-2,3-dimethylphenyl)propyl]-2,3-dimethylphenol
CID 154084421
propanoic acid;1,2,3,4-tetramethylbenzene
CID 23621081
ethanol;bis(2-methylphenol);titanium
CID 22238726
1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol
CID 69221223
2-amino-3,4-dimethylphenol;ethane
CID 145309295
4,8-dimethylnaphthalene-1,7-diol
CID 121008162
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823
bis(2,3-dimethylphenol);zirconium(2+);dichloride
CID 174478108

Frequently Asked Questions

What is the IUPAC name of ethanol;2,3,4-trimethylphenol?
The IUPAC name of ethanol;2,3,4-trimethylphenol (CID 162191958) is ethanol;2,3,4-trimethylphenol.
What is the SMILES notation for ethanol;2,3,4-trimethylphenol?
The canonical SMILES for ethanol;2,3,4-trimethylphenol is CCO.Cc1ccc(O)c(C)c1C.
What is the InChIKey of ethanol;2,3,4-trimethylphenol?
The InChIKey is ZQKORLXOZKQCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C2H6O/c1-6-4-5-9(10)8(3)7(6)2;1-2-3/h4-5,10H,1-3H3;3H,2H2,1H3.
What are the key properties of ethanol;2,3,4-trimethylphenol?
ethanol;2,3,4-trimethylphenol has a molecular weight of 182.26 g/mol, XLogP of 2.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2,3,4-trimethylphenol is sourced from PubChem (CID 162191958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).