(2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate

C15H12O4 — CID 152730750

IUPAC(2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate
SMILESC=CC(=O)OOc1cccc(-c2ccccc2)c1O
InChIInChI=1S/C15H12O4/c1-2-14(16)19-18-13-10-6-9-12(15(13)17)11-7-4-3-5-8-11/h2-10,17H,1H2
InChIKeyZXOLWMZXQJOJSO-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.08
Rot. Bonds4

About (2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate

(2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate (PubChem CID 152730750) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate.

Molecular Properties

Compound Name(2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate
PubChem CID152730750
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name(2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate
SMILESC=CC(=O)OOc1cccc(-c2ccccc2)c1O
InChIInChI=1S/C15H12O4/c1-2-14(16)19-18-13-10-6-9-12(15(13)17)11-7-4-3-5-8-11/h2-10,17H,1H2
InChIKeyZXOLWMZXQJOJSO-UHFFFAOYSA-N
XLogP3.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
(3-hydroxy-4-phenylphenyl) prop-2-enoate
CID 175065018
[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate
CID 129405839
[2-(2-hydroxypropyl)phenyl] prop-2-eneperoxoate
CID 154173395
acetylene;3-phenylbenzene-1,2-diol
CID 70170334
[2-phenyl-6-(6-prop-2-enoyloxyhexoxy)phenyl] benzoate
CID 139987175
3-phenylbenzene-1,2-diol;sulfurous acid
CID 174366785
1-azulen-1-ylazulene;prop-2-enoic acid
CID 175754625
(6-methyl-2,3-diphenylphenyl) prop-2-enoate
CID 174611973
(3-benzoyl-2-hydroxyphenyl) prop-2-enoate
CID 21134250
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate?
The IUPAC name of (2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate (CID 152730750) is (2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate.
What is the SMILES notation for (2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate?
The canonical SMILES for (2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate is C=CC(=O)OOc1cccc(-c2ccccc2)c1O.
What is the InChIKey of (2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate?
The InChIKey is ZXOLWMZXQJOJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-2-14(16)19-18-13-10-6-9-12(15(13)17)11-7-4-3-5-8-11/h2-10,17H,1H2.
What are the key properties of (2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate?
(2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate has a molecular weight of 256.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenylphenyl) prop-2-eneperoxoate is sourced from PubChem (CID 152730750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).