ethenol;formaldehyde;phenol

C9H12O3 — CID 6452345

IUPACethenol;formaldehyde;phenol
SMILESC=CO.C=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4O.CH2O/c7-6-4-2-1-3-5-6;1-2-3;1-2/h1-5,7H;2-3H,1H2;1H2
InChIKeyCJWDGCXSFQLRQE-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.90
Rot. Bonds

About ethenol;formaldehyde;phenol

ethenol;formaldehyde;phenol (PubChem CID 6452345) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is ethenol;formaldehyde;phenol.

Molecular Properties

Compound Nameethenol;formaldehyde;phenol
PubChem CID6452345
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Nameethenol;formaldehyde;phenol
SMILESC=CO.C=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4O.CH2O/c7-6-4-2-1-3-5-6;1-2-3;1-2/h1-5,7H;2-3H,1H2;1H2
InChIKeyCJWDGCXSFQLRQE-UHFFFAOYSA-N
XLogP1.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenol;formaldehyde;phenol?
The IUPAC name of ethenol;formaldehyde;phenol (CID 6452345) is ethenol;formaldehyde;phenol.
What is the SMILES notation for ethenol;formaldehyde;phenol?
The canonical SMILES for ethenol;formaldehyde;phenol is C=CO.C=O.Oc1ccccc1.
What is the InChIKey of ethenol;formaldehyde;phenol?
The InChIKey is CJWDGCXSFQLRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H4O.CH2O/c7-6-4-2-1-3-5-6;1-2-3;1-2/h1-5,7H;2-3H,1H2;1H2.
What are the key properties of ethenol;formaldehyde;phenol?
ethenol;formaldehyde;phenol has a molecular weight of 168.19 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;formaldehyde;phenol is sourced from PubChem (CID 6452345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).