[(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate

C12H14O3 — CID 14320460

IUPAC[(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate
SMILESCC(=O)OC/C(C)=C/c1ccc(O)cc1
InChIInChI=1S/C12H14O3/c1-9(8-15-10(2)13)7-11-3-5-12(14)6-4-11/h3-7,14H,8H2,1-2H3/b9-7+
InChIKeyHTTOWDXZZGGVGI-VQHVLOKHSA-N
MW206.24 g/mol
LogP2.36
Rot. Bonds3

About [(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate

[(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate (PubChem CID 14320460) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate
PubChem CID14320460
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate
SMILESCC(=O)OC/C(C)=C/c1ccc(O)cc1
InChIInChI=1S/C12H14O3/c1-9(8-15-10(2)13)7-11-3-5-12(14)6-4-11/h3-7,14H,8H2,1-2H3/b9-7+
InChIKeyHTTOWDXZZGGVGI-VQHVLOKHSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 175502826
methyl (E)-2-(acetyloxymethyl)-3-(4-methylphenyl)prop-2-enoate
CID 15526246
2-bromo-1-(4-hydroxyphenyl)ethanone;[2-(4-hydroxyphenyl)-2-oxoethyl] acetate
CID 157089552
methyl (E)-2-(acetyloxymethyl)-3-(4-bromophenyl)prop-2-enoate
CID 42611572
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
[(E)-3-(4-bromophenyl)-2-nitroprop-2-enyl] acetate
CID 121220146
methyl (E)-2-(acetyloxymethyl)-3-phenylprop-2-enoate
CID 10889836
[3-(4-hydroxyphenyl)-2-methylprop-2-enoyl]oxyboronic acid
CID 175548515
(E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide
CID 118606325
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate?
The IUPAC name of [(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate (CID 14320460) is [(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate?
The canonical SMILES for [(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate is CC(=O)OC/C(C)=C/c1ccc(O)cc1.
What is the InChIKey of [(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate?
The InChIKey is HTTOWDXZZGGVGI-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(8-15-10(2)13)7-11-3-5-12(14)6-4-11/h3-7,14H,8H2,1-2H3/b9-7+.
What are the key properties of [(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate?
[(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate has a molecular weight of 206.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate is sourced from PubChem (CID 14320460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).