[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate

C13H16O3 — CID 70388302

IUPAC[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)c1ccc(C)cc1
InChIInChI=1S/C13H16O3/c1-9(2)13(15)16-8-12(14)11-6-4-10(3)5-7-11/h4-7,12,14H,1,8H2,2-3H3
InChIKeyRTHAUVFNNGLWHN-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.15
Rot. Bonds4

About [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate

[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate (PubChem CID 70388302) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
PubChem CID70388302
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)c1ccc(C)cc1
InChIInChI=1S/C13H16O3/c1-9(2)13(15)16-8-12(14)11-6-4-10(3)5-7-11/h4-7,12,14H,1,8H2,2-3H3
InChIKeyRTHAUVFNNGLWHN-UHFFFAOYSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl] acetate
CID 91998811
2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 166789153
ethyl (4R)-4-hydroxy-2-methylidene-4-(4-methylphenyl)butanoate
CID 162411306
2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate
CID 59933632
[2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 59609170
[3-(4-tert-butylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 157088737
2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene
CID 67852922
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 20723903
[3-[4-(dibromomethyl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 70468740
[2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate
CID 155617136
[3-(3,5-dimethylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 59609188

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate (CID 70388302) is [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)c1ccc(C)cc1.
What is the InChIKey of [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate?
The InChIKey is RTHAUVFNNGLWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(2)13(15)16-8-12(14)11-6-4-10(3)5-7-11/h4-7,12,14H,1,8H2,2-3H3.
What are the key properties of [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate?
[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 70388302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).