[4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol

C16H16O6 — CID 102224762

IUPAC[4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol
SMILESOCc1ccc(OC2OOC2Oc2ccc(CO)cc2)cc1
InChIInChI=1S/C16H16O6/c17-9-11-1-5-13(6-2-11)19-15-16(22-21-15)20-14-7-3-12(10-18)4-8-14/h1-8,15-18H,9-10H2
InChIKeyHSPWNQNVMFXUPP-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.74
Rot. Bonds6

About [4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol

[4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol (PubChem CID 102224762) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is [4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol
PubChem CID102224762
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name[4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol
SMILESOCc1ccc(OC2OOC2Oc2ccc(CO)cc2)cc1
InChIInChI=1S/C16H16O6/c17-9-11-1-5-13(6-2-11)19-15-16(22-21-15)20-14-7-3-12(10-18)4-8-14/h1-8,15-18H,9-10H2
InChIKeyHSPWNQNVMFXUPP-UHFFFAOYSA-N
XLogP1.74
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
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 [4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol?
The IUPAC name of [4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol (CID 102224762) is [4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol is OCc1ccc(OC2OOC2Oc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol?
The InChIKey is HSPWNQNVMFXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c17-9-11-1-5-13(6-2-11)19-15-16(22-21-15)20-14-7-3-12(10-18)4-8-14/h1-8,15-18H,9-10H2.
What are the key properties of [4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol?
[4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol has a molecular weight of 304.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol is sourced from PubChem (CID 102224762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).