[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate

C19H20O3 — CID 145284155

IUPAC[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H20O3/c1-14(2)18(21)22-19(3,16-7-5-4-6-8-16)13-15-9-11-17(20)12-10-15/h4-12,20H,1,13H2,2-3H3
InChIKeyOXNFXYIJAZIWBG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.97
Rot. Bonds5

About [1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate

[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate (PubChem CID 145284155) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate
PubChem CID145284155
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H20O3/c1-14(2)18(21)22-19(3,16-7-5-4-6-8-16)13-15-9-11-17(20)12-10-15/h4-12,20H,1,13H2,2-3H3
InChIKeyOXNFXYIJAZIWBG-UHFFFAOYSA-N
XLogP3.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate (CID 145284155) is [1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of [1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate?
The InChIKey is OXNFXYIJAZIWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-14(2)18(21)22-19(3,16-7-5-4-6-8-16)13-15-9-11-17(20)12-10-15/h4-12,20H,1,13H2,2-3H3.
What are the key properties of [1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate?
[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 145284155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).