[4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol

C16H16O5 — CID 53328127

IUPAC[4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
SMILESCc1ccccc1C1OOC(c2ccc(CO)cc2)OO1
InChIInChI=1S/C16H16O5/c1-11-4-2-3-5-14(11)16-20-18-15(19-21-16)13-8-6-12(10-17)7-9-13/h2-9,15-17H,10H2,1H3
InChIKeyGHXAUGWVQMOZJN-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.09
Rot. Bonds3

About [4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol

[4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol (PubChem CID 53328127) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is [4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
PubChem CID53328127
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name[4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
SMILESCc1ccccc1C1OOC(c2ccc(CO)cc2)OO1
InChIInChI=1S/C16H16O5/c1-11-4-2-3-5-14(11)16-20-18-15(19-21-16)13-8-6-12(10-17)7-9-13/h2-9,15-17H,10H2,1H3
InChIKeyGHXAUGWVQMOZJN-UHFFFAOYSA-N
XLogP3.09
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol (CID 53328127) is [4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol is Cc1ccccc1C1OOC(c2ccc(CO)cc2)OO1.
What is the InChIKey of [4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
The InChIKey is GHXAUGWVQMOZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-11-4-2-3-5-14(11)16-20-18-15(19-21-16)13-8-6-12(10-17)7-9-13/h2-9,15-17H,10H2,1H3.
What are the key properties of [4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
[4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol has a molecular weight of 288.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol is sourced from PubChem (CID 53328127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).