2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone

C22H20O4 — CID 10360372

IUPAC2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone
SMILESCOC(OO)c1ccccc1C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O4/c1-25-22(26-24)19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)21(23)17-12-6-3-7-13-17/h2-15,20,22,24H,1H3
InChIKeyDRVUUQIDFOSMNR-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.84
Rot. Bonds7

About 2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone

2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone (PubChem CID 10360372) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone
PubChem CID10360372
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone
SMILESCOC(OO)c1ccccc1C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O4/c1-25-22(26-24)19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)21(23)17-12-6-3-7-13-17/h2-15,20,22,24H,1H3
InChIKeyDRVUUQIDFOSMNR-UHFFFAOYSA-N
XLogP4.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate
CID 165343205
1-phenyl-2,2-bis(2,4,5-trimethoxyphenyl)ethanone
CID 102130083
1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone
CID 3391371
(2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one
CID 910794
2-(2-methoxyphenyl)-2-phenylacetate
CID 57353343
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
2-methoxy-2-(2-methylphenyl)-1-phenylethanone
CID 71321553
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
CID 641430
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone
CID 102314756
3,3-dimethoxy-2-methyl-1-phenylpropan-1-one
CID 12709072
N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide
CID 166438028

Frequently Asked Questions

What is the IUPAC name of 2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone?
The IUPAC name of 2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone (CID 10360372) is 2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone.
What is the SMILES notation for 2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone?
The canonical SMILES for 2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone is COC(OO)c1ccccc1C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone?
The InChIKey is DRVUUQIDFOSMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-25-22(26-24)19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)21(23)17-12-6-3-7-13-17/h2-15,20,22,24H,1H3.
What are the key properties of 2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone?
2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone has a molecular weight of 348.40 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[hydroperoxy(methoxy)methyl]phenyl]-1,2-diphenylethanone is sourced from PubChem (CID 10360372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).