acetaldehyde;4-ethyl-2-methylphenol

C11H16O2 — CID 143589394

IUPACacetaldehyde;4-ethyl-2-methylphenol
SMILESCC=O.CCc1ccc(O)c(C)c1
InChIInChI=1S/C9H12O.C2H4O/c1-3-8-4-5-9(10)7(2)6-8;1-2-3/h4-6,10H,3H2,1-2H3;2H,1H3
InChIKeyUNMKSNYTFSSYEJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.47
Rot. Bonds1

About acetaldehyde;4-ethyl-2-methylphenol

acetaldehyde;4-ethyl-2-methylphenol (PubChem CID 143589394) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is acetaldehyde;4-ethyl-2-methylphenol.

Molecular Properties

Compound Nameacetaldehyde;4-ethyl-2-methylphenol
PubChem CID143589394
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameacetaldehyde;4-ethyl-2-methylphenol
SMILESCC=O.CCc1ccc(O)c(C)c1
InChIInChI=1S/C9H12O.C2H4O/c1-3-8-4-5-9(10)7(2)6-8;1-2-3/h4-6,10H,3H2,1-2H3;2H,1H3
InChIKeyUNMKSNYTFSSYEJ-UHFFFAOYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;4-ethyl-2-methylphenol?
The IUPAC name of acetaldehyde;4-ethyl-2-methylphenol (CID 143589394) is acetaldehyde;4-ethyl-2-methylphenol.
What is the SMILES notation for acetaldehyde;4-ethyl-2-methylphenol?
The canonical SMILES for acetaldehyde;4-ethyl-2-methylphenol is CC=O.CCc1ccc(O)c(C)c1.
What is the InChIKey of acetaldehyde;4-ethyl-2-methylphenol?
The InChIKey is UNMKSNYTFSSYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C2H4O/c1-3-8-4-5-9(10)7(2)6-8;1-2-3/h4-6,10H,3H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;4-ethyl-2-methylphenol?
acetaldehyde;4-ethyl-2-methylphenol has a molecular weight of 180.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;4-ethyl-2-methylphenol is sourced from PubChem (CID 143589394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).