3-ethyl-5-methylphenol

C9H12O — CID 12775

IUPAC3-ethyl-5-methylphenol
SMILESCCc1cc(C)cc(O)c1
InChIInChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3
InChIKeyXTCHLXABLZQNNN-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.26
Rot. Bonds1

About 3-ethyl-5-methylphenol

3-ethyl-5-methylphenol (PubChem CID 12775) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-ethyl-5-methylphenol.

Molecular Properties

Compound Name3-ethyl-5-methylphenol
PubChem CID12775
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-ethyl-5-methylphenol
SMILESCCc1cc(C)cc(O)c1
InChIInChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3
InChIKeyXTCHLXABLZQNNN-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylphenol?
The IUPAC name of 3-ethyl-5-methylphenol (CID 12775) is 3-ethyl-5-methylphenol.
What is the SMILES notation for 3-ethyl-5-methylphenol?
The canonical SMILES for 3-ethyl-5-methylphenol is CCc1cc(C)cc(O)c1.
What is the InChIKey of 3-ethyl-5-methylphenol?
The InChIKey is XTCHLXABLZQNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methylphenol?
3-ethyl-5-methylphenol has a molecular weight of 136.19 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylphenol is sourced from PubChem (CID 12775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).