ethene;2-(2-hydroxyphenyl)peroxyphenol

C14H14O4 — CID 163415506

IUPACethene;2-(2-hydroxyphenyl)peroxyphenol
SMILESC=C.Oc1ccccc1OOc1ccccc1O
InChIInChI=1S/C12H10O4.C2H4/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14;1-2/h1-8,13-14H;1-2H2
InChIKeyAEAMTEXGRVEEIH-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.27
Rot. Bonds3

About ethene;2-(2-hydroxyphenyl)peroxyphenol

ethene;2-(2-hydroxyphenyl)peroxyphenol (PubChem CID 163415506) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is ethene;2-(2-hydroxyphenyl)peroxyphenol.

Molecular Properties

Compound Nameethene;2-(2-hydroxyphenyl)peroxyphenol
PubChem CID163415506
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Nameethene;2-(2-hydroxyphenyl)peroxyphenol
SMILESC=C.Oc1ccccc1OOc1ccccc1O
InChIInChI=1S/C12H10O4.C2H4/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14;1-2/h1-8,13-14H;1-2H2
InChIKeyAEAMTEXGRVEEIH-UHFFFAOYSA-N
XLogP3.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;2-(2-hydroxyphenyl)peroxyphenol?
The IUPAC name of ethene;2-(2-hydroxyphenyl)peroxyphenol (CID 163415506) is ethene;2-(2-hydroxyphenyl)peroxyphenol.
What is the SMILES notation for ethene;2-(2-hydroxyphenyl)peroxyphenol?
The canonical SMILES for ethene;2-(2-hydroxyphenyl)peroxyphenol is C=C.Oc1ccccc1OOc1ccccc1O.
What is the InChIKey of ethene;2-(2-hydroxyphenyl)peroxyphenol?
The InChIKey is AEAMTEXGRVEEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4.C2H4/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14;1-2/h1-8,13-14H;1-2H2.
What are the key properties of ethene;2-(2-hydroxyphenyl)peroxyphenol?
ethene;2-(2-hydroxyphenyl)peroxyphenol has a molecular weight of 246.26 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(2-hydroxyphenyl)peroxyphenol is sourced from PubChem (CID 163415506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).