4-(2-ethoxyethyl)-2-methylphenol

C11H16O2 — CID 139712535

IUPAC4-(2-ethoxyethyl)-2-methylphenol
SMILESCCOCCc1ccc(O)c(C)c1
InChIInChI=1S/C11H16O2/c1-3-13-7-6-10-4-5-11(12)9(2)8-10/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyCGMKLTBEWSMMES-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.28
Rot. Bonds4

About 4-(2-ethoxyethyl)-2-methylphenol

4-(2-ethoxyethyl)-2-methylphenol (PubChem CID 139712535) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-2-methylphenol.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-2-methylphenol
PubChem CID139712535
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(2-ethoxyethyl)-2-methylphenol
SMILESCCOCCc1ccc(O)c(C)c1
InChIInChI=1S/C11H16O2/c1-3-13-7-6-10-4-5-11(12)9(2)8-10/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyCGMKLTBEWSMMES-UHFFFAOYSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethyl)-2-methylphenol
CID 19977526
4-butyl-2-methylphenol
CID 10964856
2-methyl-4-octadecylphenol
CID 3022311
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
4-butyl-2-methylphenol;methyl dihydrogen phosphite
CID 174305201
1-(2-ethoxyethyl)-4-ethylbenzene
CID 70640844
1-(4-hydroxy-3-methylphenyl)heptane-3,4-diol
CID 112717303
butyl 4-(4-hydroxy-3-methylphenyl)butanoate
CID 174757530
4-(aminooxymethyl)-2-methylphenol
CID 117276023
CID 140580608
CID 140580608
2-methyl-4-pent-3-ynylphenol
CID 83923007
4-(4-aminoheptyl)-2-methylphenol
CID 83922946

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)-2-methylphenol?
The IUPAC name of 4-(2-ethoxyethyl)-2-methylphenol (CID 139712535) is 4-(2-ethoxyethyl)-2-methylphenol.
What is the SMILES notation for 4-(2-ethoxyethyl)-2-methylphenol?
The canonical SMILES for 4-(2-ethoxyethyl)-2-methylphenol is CCOCCc1ccc(O)c(C)c1.
What is the InChIKey of 4-(2-ethoxyethyl)-2-methylphenol?
The InChIKey is CGMKLTBEWSMMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-13-7-6-10-4-5-11(12)9(2)8-10/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of 4-(2-ethoxyethyl)-2-methylphenol?
4-(2-ethoxyethyl)-2-methylphenol has a molecular weight of 180.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-2-methylphenol is sourced from PubChem (CID 139712535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).