molecular oxygen;phenol

C6H6O3 — CID 141080591

IUPACmolecular oxygen;phenol
SMILESO=O.Oc1ccccc1
InChIInChI=1S/C6H6O.O2/c7-6-4-2-1-3-5-6;1-2/h1-5,7H;
InChIKeyRZGDFYLJULYTPS-UHFFFAOYSA-N
MW126.11 g/mol
LogP1.46
Rot. Bonds

About molecular oxygen;phenol

molecular oxygen;phenol (PubChem CID 141080591) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is molecular oxygen;phenol.

Molecular Properties

Compound Namemolecular oxygen;phenol
PubChem CID141080591
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Namemolecular oxygen;phenol
SMILESO=O.Oc1ccccc1
InChIInChI=1S/C6H6O.O2/c7-6-4-2-1-3-5-6;1-2/h1-5,7H;
InChIKeyRZGDFYLJULYTPS-UHFFFAOYSA-N
XLogP1.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
aluminum phenol
CID 19023057
CID 159904044
CID 159904044
CID 161001247
CID 161001247
phenol;chloride
CID 23313261
phenol;bis(yttrium)
CID 59089942

Frequently Asked Questions

What is the IUPAC name of molecular oxygen;phenol?
The IUPAC name of molecular oxygen;phenol (CID 141080591) is molecular oxygen;phenol.
What is the SMILES notation for molecular oxygen;phenol?
The canonical SMILES for molecular oxygen;phenol is O=O.Oc1ccccc1.
What is the InChIKey of molecular oxygen;phenol?
The InChIKey is RZGDFYLJULYTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.O2/c7-6-4-2-1-3-5-6;1-2/h1-5,7H;.
What are the key properties of molecular oxygen;phenol?
molecular oxygen;phenol has a molecular weight of 126.11 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular oxygen;phenol is sourced from PubChem (CID 141080591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).