1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone

C23H18O6 — CID 123384129

IUPAC1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(C(C)=O)c(OOc2ccccc2C(=O)c2ccccc2)cc1O
InChIInChI=1S/C23H18O6/c1-14(24)18-12-19(15(2)25)22(13-20(18)26)29-28-21-11-7-6-10-17(21)23(27)16-8-4-3-5-9-16/h3-13,26H,1-2H3
InChIKeyYRTLJTRWBUGQLP-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.40
Rot. Bonds7

About 1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone

1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone (PubChem CID 123384129) has the molecular formula C23H18O6 and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone
PubChem CID123384129
Molecular FormulaC23H18O6
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(C(C)=O)c(OOc2ccccc2C(=O)c2ccccc2)cc1O
InChIInChI=1S/C23H18O6/c1-14(24)18-12-19(15(2)25)22(13-20(18)26)29-28-21-11-7-6-10-17(21)23(27)16-8-4-3-5-9-16/h3-13,26H,1-2H3
InChIKeyYRTLJTRWBUGQLP-UHFFFAOYSA-N
XLogP4.40
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
CID 67943677
phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone
CID 13127036
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
[2-(2-bromophenoxy)phenyl]-phenylmethanone
CID 70097851
[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
CID 139905658
[5-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)methyl]-4-ethoxy-2-hydroxyphenyl]-phenylmethanone
CID 22643675
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
phenyl-(2-propoxyphenyl)methanone
CID 15556308

Frequently Asked Questions

What is the IUPAC name of 1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone (CID 123384129) is 1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone is CC(=O)c1cc(C(C)=O)c(OOc2ccccc2C(=O)c2ccccc2)cc1O.
What is the InChIKey of 1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone?
The InChIKey is YRTLJTRWBUGQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O6/c1-14(24)18-12-19(15(2)25)22(13-20(18)26)29-28-21-11-7-6-10-17(21)23(27)16-8-4-3-5-9-16/h3-13,26H,1-2H3.
What are the key properties of 1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone?
1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone has a molecular weight of 390.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 123384129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).