3-phenylperoxyphenol

C12H10O3 — CID 87446766

IUPAC3-phenylperoxyphenol
SMILESOc1cccc(OOc2ccccc2)c1
InChIInChI=1S/C12H10O3/c13-10-5-4-8-12(9-10)15-14-11-6-2-1-3-7-11/h1-9,13H
InChIKeyOGGVLDMGJPLCML-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.77
Rot. Bonds3

About 3-phenylperoxyphenol

3-phenylperoxyphenol (PubChem CID 87446766) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-phenylperoxyphenol.

Molecular Properties

Compound Name3-phenylperoxyphenol
PubChem CID87446766
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name3-phenylperoxyphenol
SMILESOc1cccc(OOc2ccccc2)c1
InChIInChI=1S/C12H10O3/c13-10-5-4-8-12(9-10)15-14-11-6-2-1-3-7-11/h1-9,13H
InChIKeyOGGVLDMGJPLCML-UHFFFAOYSA-N
XLogP2.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-phenylperoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
CID 139520139
4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
CID 142817698
benzene-1,3-diol;phenol
CID 23218590
(3-hydroxyphenoxy) dihydrogen phosphate
CID 150935561
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
azane;phenylperoxybenzene
CID 174490395
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
3-(2-phenylpropan-2-yloxy)phenol
CID 54130894
potassium;hydride;phenylperoxybenzene
CID 174274599
anthracene;benzene;naphthalene;phenol
CID 174822165
bis(3-hydroxyphenoxy)-oxophosphanium
CID 68909163

Frequently Asked Questions

What is the IUPAC name of 3-phenylperoxyphenol?
The IUPAC name of 3-phenylperoxyphenol (CID 87446766) is 3-phenylperoxyphenol.
What is the SMILES notation for 3-phenylperoxyphenol?
The canonical SMILES for 3-phenylperoxyphenol is Oc1cccc(OOc2ccccc2)c1.
What is the InChIKey of 3-phenylperoxyphenol?
The InChIKey is OGGVLDMGJPLCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-10-5-4-8-12(9-10)15-14-11-6-2-1-3-7-11/h1-9,13H.
What are the key properties of 3-phenylperoxyphenol?
3-phenylperoxyphenol has a molecular weight of 202.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylperoxyphenol is sourced from PubChem (CID 87446766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).