[4-(hydroperoxymethyl)phenyl]-phenylmethanone

C14H12O3 — CID 140726155

IUPAC[4-(hydroperoxymethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(COO)cc1
InChIInChI=1S/C14H12O3/c15-14(12-4-2-1-3-5-12)13-8-6-11(7-9-13)10-17-16/h1-9,16H,10H2
InChIKeyZGPWZJRIZTYBNI-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.91
Rot. Bonds4

About [4-(hydroperoxymethyl)phenyl]-phenylmethanone

[4-(hydroperoxymethyl)phenyl]-phenylmethanone (PubChem CID 140726155) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is [4-(hydroperoxymethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(hydroperoxymethyl)phenyl]-phenylmethanone
PubChem CID140726155
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name[4-(hydroperoxymethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(COO)cc1
InChIInChI=1S/C14H12O3/c15-14(12-4-2-1-3-5-12)13-8-6-11(7-9-13)10-17-16/h1-9,16H,10H2
InChIKeyZGPWZJRIZTYBNI-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.91
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'}

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Related Compounds

[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
(4-benzoylphenyl)methyl carbonochloridate
CID 10912734
4-[4-(hydroperoxymethyl)phenyl]benzoic acid
CID 23562064
diphenylmethanone
CID 3102
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635

Frequently Asked Questions

What is the IUPAC name of [4-(hydroperoxymethyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(hydroperoxymethyl)phenyl]-phenylmethanone (CID 140726155) is [4-(hydroperoxymethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(hydroperoxymethyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(hydroperoxymethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(COO)cc1.
What is the InChIKey of [4-(hydroperoxymethyl)phenyl]-phenylmethanone?
The InChIKey is ZGPWZJRIZTYBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-14(12-4-2-1-3-5-12)13-8-6-11(7-9-13)10-17-16/h1-9,16H,10H2.
What are the key properties of [4-(hydroperoxymethyl)phenyl]-phenylmethanone?
[4-(hydroperoxymethyl)phenyl]-phenylmethanone has a molecular weight of 228.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroperoxymethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 140726155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).