(2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone

C15H12O6 — CID 91993230

IUPAC(2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone
SMILESO=C(c1ccc(O)cc1O)C1OOC1c1ccc(O)cc1
InChIInChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)14-15(21-20-14)13(19)11-6-5-10(17)7-12(11)18/h1-7,14-18H
InChIKeyDIFPRGZTASYYNJ-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.06
Rot. Bonds3

About (2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone

(2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone (PubChem CID 91993230) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone
PubChem CID91993230
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name(2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone
SMILESO=C(c1ccc(O)cc1O)C1OOC1c1ccc(O)cc1
InChIInChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)14-15(21-20-14)13(19)11-6-5-10(17)7-12(11)18/h1-7,14-18H
InChIKeyDIFPRGZTASYYNJ-UHFFFAOYSA-N
XLogP2.06
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone (CID 91993230) is (2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone is O=C(c1ccc(O)cc1O)C1OOC1c1ccc(O)cc1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone?
The InChIKey is DIFPRGZTASYYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)14-15(21-20-14)13(19)11-6-5-10(17)7-12(11)18/h1-7,14-18H.
What are the key properties of (2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone?
(2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone has a molecular weight of 288.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[4-(4-hydroxyphenyl)dioxetan-3-yl]methanone is sourced from PubChem (CID 91993230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).