2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate

C17H20O4 — CID 137350549

IUPAC2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCC=Cc1ccccc1
InChIInChI=1S/C13H14O2.C4H6O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12;1-3(2)4(5)6/h3-9H,1,10H2,2H3;1H2,2H3,(H,5,6)
InChIKeyHKTLYWJDUOJVEI-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.47
Rot. Bonds5

About 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate

2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate (PubChem CID 137350549) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
PubChem CID137350549
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCC=Cc1ccccc1
InChIInChI=1S/C13H14O2.C4H6O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12;1-3(2)4(5)6/h3-9H,1,10H2,2H3;1H2,2H3,(H,5,6)
InChIKeyHKTLYWJDUOJVEI-UHFFFAOYSA-N
XLogP3.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 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

methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
3-phenylprop-2-enyl 2-(chloromethyl)prop-2-enoate
CID 57238060
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 138598568
[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 98572547
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
CID 66766714
(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138
[(E)-3-(3-methylbut-1-en-2-yloxy)prop-1-enyl]benzene
CID 145420997
dimethyl-[2-oxo-2-(3-phenylprop-2-enoxy)ethyl]azanium chloride
CID 143304619

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate (CID 137350549) is 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate is C=C(C)C(=O)O.C=C(C)C(=O)OCC=Cc1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate?
The InChIKey is HKTLYWJDUOJVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2.C4H6O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12;1-3(2)4(5)6/h3-9H,1,10H2,2H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate?
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate has a molecular weight of 288.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 137350549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).