tris(2-methylprop-2-enoic acid);phenol

C24H30O8 — CID 67760240

IUPACtris(2-methylprop-2-enoic acid);phenol
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.3C4H6O2/c2*7-6-4-2-1-3-5-6;3*1-3(2)4(5)6/h2*1-5,7H;3*1H2,2H3,(H,5,6)
InChIKeyULZVZOAJFQMUAE-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.73
Rot. Bonds3

About tris(2-methylprop-2-enoic acid);phenol

tris(2-methylprop-2-enoic acid);phenol (PubChem CID 67760240) has the molecular formula C24H30O8 and a molecular weight of 446.50 g/mol. Its IUPAC name is tris(2-methylprop-2-enoic acid);phenol.

Molecular Properties

Compound Nametris(2-methylprop-2-enoic acid);phenol
PubChem CID67760240
Molecular FormulaC24H30O8
Molecular Weight446.50 g/mol
Exact Mass446.19
IUPAC Nametris(2-methylprop-2-enoic acid);phenol
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.3C4H6O2/c2*7-6-4-2-1-3-5-6;3*1-3(2)4(5)6/h2*1-5,7H;3*1H2,2H3,(H,5,6)
InChIKeyULZVZOAJFQMUAE-UHFFFAOYSA-N
XLogP4.73
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylprop-2-enoic acid);phenol?
The IUPAC name of tris(2-methylprop-2-enoic acid);phenol (CID 67760240) is tris(2-methylprop-2-enoic acid);phenol.
What is the SMILES notation for tris(2-methylprop-2-enoic acid);phenol?
The canonical SMILES for tris(2-methylprop-2-enoic acid);phenol is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of tris(2-methylprop-2-enoic acid);phenol?
The InChIKey is ULZVZOAJFQMUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.3C4H6O2/c2*7-6-4-2-1-3-5-6;3*1-3(2)4(5)6/h2*1-5,7H;3*1H2,2H3,(H,5,6).
What are the key properties of tris(2-methylprop-2-enoic acid);phenol?
tris(2-methylprop-2-enoic acid);phenol has a molecular weight of 446.50 g/mol, XLogP of 4.73, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylprop-2-enoic acid);phenol is sourced from PubChem (CID 67760240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).