[2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate

C20H22O3 — CID 121267124

IUPAC[2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(C)c(C)c(C)c(C)c1-c1ccccc1O
InChIInChI=1S/C20H22O3/c1-11(2)20(22)23-19-15(6)13(4)12(3)14(5)18(19)16-9-7-8-10-17(16)21/h7-10,21H,1H2,2-6H3
InChIKeyYZTQLDLUAUUIPG-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.77
Rot. Bonds3

About [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate

[2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate (PubChem CID 121267124) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate
PubChem CID121267124
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name[2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(C)c(C)c(C)c(C)c1-c1ccccc1O
InChIInChI=1S/C20H22O3/c1-11(2)20(22)23-19-15(6)13(4)12(3)14(5)18(19)16-9-7-8-10-17(16)21/h7-10,21H,1H2,2-6H3
InChIKeyYZTQLDLUAUUIPG-UHFFFAOYSA-N
XLogP4.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 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

(2,3-dimethylazulen-1-yl) 2-methylprop-2-enoate
CID 164546738
2-(2-methoxy-3,4,5,6-tetramethylphenyl)phenol
CID 21315494
(10-ethylanthracen-9-yl) 2-methylprop-2-enoate
CID 123636000
[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(2,3,5,6-tetrafluoro-4-methylphenyl) 2-methylprop-2-enoate
CID 89308664
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate
CID 162497593

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate (CID 121267124) is [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(C)c(C)c(C)c(C)c1-c1ccccc1O.
What is the InChIKey of [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate?
The InChIKey is YZTQLDLUAUUIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-11(2)20(22)23-19-15(6)13(4)12(3)14(5)18(19)16-9-7-8-10-17(16)21/h7-10,21H,1H2,2-6H3.
What are the key properties of [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate?
[2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate has a molecular weight of 310.39 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyphenyl)-3,4,5,6-tetramethylphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 121267124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).