2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid

C13H14O2 — CID 67283763

IUPAC2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid
SMILESC=CCc1ccccc1C=C(C)C(=O)O
InChIInChI=1S/C13H14O2/c1-3-6-11-7-4-5-8-12(11)9-10(2)13(14)15/h3-5,7-9H,1,6H2,2H3,(H,14,15)
InChIKeyBYQDTSQJQXEYEC-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.90
Rot. Bonds4

About 2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid

2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid (PubChem CID 67283763) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid
PubChem CID67283763
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid
SMILESC=CCc1ccccc1C=C(C)C(=O)O
InChIInChI=1S/C13H14O2/c1-3-6-11-7-4-5-8-12(11)9-10(2)13(14)15/h3-5,7-9H,1,6H2,2H3,(H,14,15)
InChIKeyBYQDTSQJQXEYEC-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
CID 19101070
3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 79725443
2-methylprop-2-enoic acid;2-prop-2-enylphenol
CID 70155060
3-(2-formylphenyl)-2-methylprop-2-enoic acid
CID 54486948
2-methyl-4-(2-prop-2-enylphenoxy)but-2-enoic acid
CID 77075220
(E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 139788872
2-prop-2-enylbenzoic acid
CID 2752991
3-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]-2-methylprop-2-enoic acid
CID 56992584
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
(E)-2-methyl-3-(2-tetradecoxyphenyl)prop-2-enoic acid
CID 12636969
[2-[(E)-2-carboxyprop-1-enyl]phenyl]-methylazanium;ethane
CID 156805282
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid?
The IUPAC name of 2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid (CID 67283763) is 2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid?
The canonical SMILES for 2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid is C=CCc1ccccc1C=C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid?
The InChIKey is BYQDTSQJQXEYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-3-6-11-7-4-5-8-12(11)9-10(2)13(14)15/h3-5,7-9H,1,6H2,2H3,(H,14,15).
What are the key properties of 2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid?
2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid is sourced from PubChem (CID 67283763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).