acetaldehyde;phenol

C8H10O2 — CID 87242142

IUPACacetaldehyde;phenol
SMILESCC=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4O/c7-6-4-2-1-3-5-6;1-2-3/h1-5,7H;2H,1H3
InChIKeyTXAHPQBGJGJQME-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.60
Rot. Bonds

About acetaldehyde;phenol

acetaldehyde;phenol (PubChem CID 87242142) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is acetaldehyde;phenol.

Molecular Properties

Compound Nameacetaldehyde;phenol
PubChem CID87242142
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Nameacetaldehyde;phenol
SMILESCC=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4O/c7-6-4-2-1-3-5-6;1-2-3/h1-5,7H;2H,1H3
InChIKeyTXAHPQBGJGJQME-UHFFFAOYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.60
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;phenol?
The IUPAC name of acetaldehyde;phenol (CID 87242142) is acetaldehyde;phenol.
What is the SMILES notation for acetaldehyde;phenol?
The canonical SMILES for acetaldehyde;phenol is CC=O.Oc1ccccc1.
What is the InChIKey of acetaldehyde;phenol?
The InChIKey is TXAHPQBGJGJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H4O/c7-6-4-2-1-3-5-6;1-2-3/h1-5,7H;2H,1H3.
What are the key properties of acetaldehyde;phenol?
acetaldehyde;phenol has a molecular weight of 138.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;phenol is sourced from PubChem (CID 87242142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).