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

C13H14O4 — CID 157125853

IUPAC2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=C(O)C=Cc1ccccc1
InChIInChI=1S/C9H8O2.C4H6O2/c10-9(11)7-6-8-4-2-1-3-5-8;1-3(2)4(5)6/h1-7H,(H,10,11);1H2,2H3,(H,5,6)
InChIKeyAIMOGYBQVOZZCZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.43
Rot. Bonds3

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

2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid (PubChem CID 157125853) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
PubChem CID157125853
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=C(O)C=Cc1ccccc1
InChIInChI=1S/C9H8O2.C4H6O2/c10-9(11)7-6-8-4-2-1-3-5-8;1-3(2)4(5)6/h1-7H,(H,10,11);1H2,2H3,(H,5,6)
InChIKeyAIMOGYBQVOZZCZ-UHFFFAOYSA-N
XLogP2.43
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-phenylprop-2-enoic acid
CID 5372954
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
ethane;methanamine;(E)-3-phenylprop-2-enoic acid
CID 142207731
(Z)-2-methylbut-2-enedioic acid;3-phenylprop-2-enoic acid
CID 66896559
2-methyl-3-phenylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 67448795
ethanol;3-phenylprop-2-enoic acid
CID 158830805
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid?
The IUPAC name of 2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid (CID 157125853) is 2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid?
The canonical SMILES for 2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid is C=C(C)C(=O)O.O=C(O)C=Cc1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid?
The InChIKey is AIMOGYBQVOZZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C4H6O2/c10-9(11)7-6-8-4-2-1-3-5-8;1-3(2)4(5)6/h1-7H,(H,10,11);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid?
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid has a molecular weight of 234.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid is sourced from PubChem (CID 157125853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).