2-(1-ethoxyethyl)-3-methylphenol

C11H16O2 — CID 67321462

IUPAC2-(1-ethoxyethyl)-3-methylphenol
SMILESCCOC(C)c1c(C)cccc1O
InChIInChI=1S/C11H16O2/c1-4-13-9(3)11-8(2)6-5-7-10(11)12/h5-7,9,12H,4H2,1-3H3
InChIKeyWHAVQFRHLNKAAX-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.80
Rot. Bonds3

About 2-(1-ethoxyethyl)-3-methylphenol

2-(1-ethoxyethyl)-3-methylphenol (PubChem CID 67321462) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-3-methylphenol.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-3-methylphenol
PubChem CID67321462
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(1-ethoxyethyl)-3-methylphenol
SMILESCCOC(C)c1c(C)cccc1O
InChIInChI=1S/C11H16O2/c1-4-13-9(3)11-8(2)6-5-7-10(11)12/h5-7,9,12H,4H2,1-3H3
InChIKeyWHAVQFRHLNKAAX-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxyethyl)-2,3-dimethylbenzene
CID 19386638
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol
CID 162967922
3-chloro-1-(2-hydroxy-6-methylphenyl)propane-1,2-diol
CID 171861659
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750
2-(5-aminopentan-2-yl)-3-methylphenol
CID 83923785
4-(1-ethoxyethyl)phenol
CID 15774870
2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol
CID 112717400
2-[hydroxy(phenyl)methyl]-3-methylphenol
CID 54494463
1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712154
1-[(1R)-1-ethoxyethyl]-4-methylbenzene
CID 11130348
2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol
CID 83923738

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-3-methylphenol?
The IUPAC name of 2-(1-ethoxyethyl)-3-methylphenol (CID 67321462) is 2-(1-ethoxyethyl)-3-methylphenol.
What is the SMILES notation for 2-(1-ethoxyethyl)-3-methylphenol?
The canonical SMILES for 2-(1-ethoxyethyl)-3-methylphenol is CCOC(C)c1c(C)cccc1O.
What is the InChIKey of 2-(1-ethoxyethyl)-3-methylphenol?
The InChIKey is WHAVQFRHLNKAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-13-9(3)11-8(2)6-5-7-10(11)12/h5-7,9,12H,4H2,1-3H3.
What are the key properties of 2-(1-ethoxyethyl)-3-methylphenol?
2-(1-ethoxyethyl)-3-methylphenol has a molecular weight of 180.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-3-methylphenol is sourced from PubChem (CID 67321462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).