[2-(4-hydroxyphenyl)-2-methylpropyl] acetate

C12H16O3 — CID 139774569

IUPAC[2-(4-hydroxyphenyl)-2-methylpropyl] acetate
SMILESCC(=O)OCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C12H16O3/c1-9(13)15-8-12(2,3)10-4-6-11(14)7-5-10/h4-7,14H,8H2,1-3H3
InChIKeyXZCBANNVDSVVBO-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.23
Rot. Bonds3

About [2-(4-hydroxyphenyl)-2-methylpropyl] acetate

[2-(4-hydroxyphenyl)-2-methylpropyl] acetate (PubChem CID 139774569) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [2-(4-hydroxyphenyl)-2-methylpropyl] acetate.

Molecular Properties

Compound Name[2-(4-hydroxyphenyl)-2-methylpropyl] acetate
PubChem CID139774569
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[2-(4-hydroxyphenyl)-2-methylpropyl] acetate
SMILESCC(=O)OCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C12H16O3/c1-9(13)15-8-12(2,3)10-4-6-11(14)7-5-10/h4-7,14H,8H2,1-3H3
InChIKeyXZCBANNVDSVVBO-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyphenyl)-2-methylpropyl] acetate?
The IUPAC name of [2-(4-hydroxyphenyl)-2-methylpropyl] acetate (CID 139774569) is [2-(4-hydroxyphenyl)-2-methylpropyl] acetate.
What is the SMILES notation for [2-(4-hydroxyphenyl)-2-methylpropyl] acetate?
The canonical SMILES for [2-(4-hydroxyphenyl)-2-methylpropyl] acetate is CC(=O)OCC(C)(C)c1ccc(O)cc1.
What is the InChIKey of [2-(4-hydroxyphenyl)-2-methylpropyl] acetate?
The InChIKey is XZCBANNVDSVVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(13)15-8-12(2,3)10-4-6-11(14)7-5-10/h4-7,14H,8H2,1-3H3.
What are the key properties of [2-(4-hydroxyphenyl)-2-methylpropyl] acetate?
[2-(4-hydroxyphenyl)-2-methylpropyl] acetate has a molecular weight of 208.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyphenyl)-2-methylpropyl] acetate is sourced from PubChem (CID 139774569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).