2-hydroperoxy-2,2-diphenylacetic acid

C14H12O4 — CID 5314128

IUPAC2-hydroperoxy-2,2-diphenylacetic acid
SMILESO=C(O)C(OO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O4/c15-13(16)14(18-17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
InChIKeyCZVKPTLSVYWLDV-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.50
Rot. Bonds4

About 2-hydroperoxy-2,2-diphenylacetic acid

2-hydroperoxy-2,2-diphenylacetic acid (PubChem CID 5314128) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-hydroperoxy-2,2-diphenylacetic acid.

Molecular Properties

Compound Name2-hydroperoxy-2,2-diphenylacetic acid
PubChem CID5314128
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-hydroperoxy-2,2-diphenylacetic acid
SMILESO=C(O)C(OO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O4/c15-13(16)14(18-17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
InChIKeyCZVKPTLSVYWLDV-UHFFFAOYSA-N
XLogP2.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid
CID 57314417
2,2-diphenyl-2-(2-phenylacetyl)oxyacetic acid
CID 19604725
2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid
CID 174409827
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
2-methoxy-2,2-diphenylacetic acid;pentan-3-amine
CID 173385536
1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid
CID 173385557
2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid
CID 170850849
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-2,2-diphenylacetic acid?
The IUPAC name of 2-hydroperoxy-2,2-diphenylacetic acid (CID 5314128) is 2-hydroperoxy-2,2-diphenylacetic acid.
What is the SMILES notation for 2-hydroperoxy-2,2-diphenylacetic acid?
The canonical SMILES for 2-hydroperoxy-2,2-diphenylacetic acid is O=C(O)C(OO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroperoxy-2,2-diphenylacetic acid?
The InChIKey is CZVKPTLSVYWLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-13(16)14(18-17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16).
What are the key properties of 2-hydroperoxy-2,2-diphenylacetic acid?
2-hydroperoxy-2,2-diphenylacetic acid has a molecular weight of 244.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2,2-diphenylacetic acid is sourced from PubChem (CID 5314128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).