(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone

C13H10O4 — CID 88685403

IUPAC(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OO)cc1O
InChIInChI=1S/C13H10O4/c14-12-8-10(17-16)6-7-11(12)13(15)9-4-2-1-3-5-9/h1-8,14,16H
InChIKeyLKPIAORZGKCWOL-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.47
Rot. Bonds3

About (4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone

(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone (PubChem CID 88685403) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is (4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
PubChem CID88685403
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OO)cc1O
InChIInChI=1S/C13H10O4/c14-12-8-10(17-16)6-7-11(12)13(15)9-4-2-1-3-5-9/h1-8,14,16H
InChIKeyLKPIAORZGKCWOL-UHFFFAOYSA-N
XLogP2.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

CID 175499515
CID 175499515
CID 172864174
CID 172864174
[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
CID 158500330
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride
CID 19380030
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
(4-benzoyl-3-hydroxyphenyl) propaneperoxoate
CID 174643093
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350

Frequently Asked Questions

What is the IUPAC name of (4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone?
The IUPAC name of (4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone (CID 88685403) is (4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for (4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(OO)cc1O.
What is the InChIKey of (4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone?
The InChIKey is LKPIAORZGKCWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c14-12-8-10(17-16)6-7-11(12)13(15)9-4-2-1-3-5-9/h1-8,14,16H.
What are the key properties of (4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone?
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone has a molecular weight of 230.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 88685403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).