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

C18H20O5 — CID 53328129

IUPAC[4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
SMILESCC(C)c1ccc(C2OOC(c3ccc(CO)cc3)OO2)cc1
InChIInChI=1S/C18H20O5/c1-12(2)14-7-9-16(10-8-14)18-22-20-17(21-23-18)15-5-3-13(11-19)4-6-15/h3-10,12,17-19H,11H2,1-2H3
InChIKeyDUMCPJQCJAUSEM-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.91
Rot. Bonds4

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

[4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol (PubChem CID 53328129) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is [4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
PubChem CID53328129
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name[4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
SMILESCC(C)c1ccc(C2OOC(c3ccc(CO)cc3)OO2)cc1
InChIInChI=1S/C18H20O5/c1-12(2)14-7-9-16(10-8-14)18-22-20-17(21-23-18)15-5-3-13(11-19)4-6-15/h3-10,12,17-19H,11H2,1-2H3
InChIKeyDUMCPJQCJAUSEM-UHFFFAOYSA-N
XLogP3.91
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 325
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CID 95512
1,1-Diphenylbutane-1,4-diol
CID 96679
4,4'-Dimethylbenzhydrol
CID 279356
4-(Phenylmethyl)benzenemethanol
CID 597614
4,4'-Bis(hydroxymethyl)biphenyl
CID 611786
(1S)-1-(4-phenylphenyl)ethan-1-ol
CID 7000105
1-(4-Cyclohexylphenyl)ethanol
CID 12631458
1,3-Diphenylbutan-1-ol
CID 246552
3,6-Bis(3-methylphenyl)-1,2,4,5-tetraoxane
CID 25110738

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol (CID 53328129) is [4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol is CC(C)c1ccc(C2OOC(c3ccc(CO)cc3)OO2)cc1.
What is the InChIKey of [4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
The InChIKey is DUMCPJQCJAUSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-12(2)14-7-9-16(10-8-14)18-22-20-17(21-23-18)15-5-3-13(11-19)4-6-15/h3-10,12,17-19H,11H2,1-2H3.
What are the key properties of [4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
[4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol has a molecular weight of 316.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol is sourced from PubChem (CID 53328129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).