2-(2-ethenyl-4-methylphenyl)propanoic acid

C12H14O2 — CID 54325809

IUPAC2-(2-ethenyl-4-methylphenyl)propanoic acid
SMILESC=Cc1cc(C)ccc1C(C)C(=O)O
InChIInChI=1S/C12H14O2/c1-4-10-7-8(2)5-6-11(10)9(3)12(13)14/h4-7,9H,1H2,2-3H3,(H,13,14)
InChIKeySUVFZRDXEVVHML-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.83
Rot. Bonds3

About 2-(2-ethenyl-4-methylphenyl)propanoic acid

2-(2-ethenyl-4-methylphenyl)propanoic acid (PubChem CID 54325809) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(2-ethenyl-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethenyl-4-methylphenyl)propanoic acid
PubChem CID54325809
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(2-ethenyl-4-methylphenyl)propanoic acid
SMILESC=Cc1cc(C)ccc1C(C)C(=O)O
InChIInChI=1S/C12H14O2/c1-4-10-7-8(2)5-6-11(10)9(3)12(13)14/h4-7,9H,1H2,2-3H3,(H,13,14)
InChIKeySUVFZRDXEVVHML-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-formyl-4-methylphenyl)-2-hydroxyacetic acid
CID 117284304
dipotassium;2-(2-hydroxy-4-methylphenyl)propanoic acid;sulfate
CID 70514513
2-[2-(ethylamino)-4-methylphenyl]propanoic acid
CID 154242740
dipotassium;hydride;2-(4-methyl-2-sulfooxyphenyl)propanoic acid
CID 173425891
2-[2-(dimethylcarbamothioylamino)-4-methylphenyl]propanoic acid
CID 139975666
2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid
CID 117122158
2-(4-iodo-2-methylphenyl)propanoic acid
CID 131284979
2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
CID 175234713
4-(2-formyl-4-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877603
1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
CID 143109354
1-chloro-2-ethenyl-4-methylbenzene
CID 19377357
1,2-bis(ethenyl)-4-methylbenzene;methoxymethane
CID 142804443

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenyl-4-methylphenyl)propanoic acid?
The IUPAC name of 2-(2-ethenyl-4-methylphenyl)propanoic acid (CID 54325809) is 2-(2-ethenyl-4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-ethenyl-4-methylphenyl)propanoic acid?
The canonical SMILES for 2-(2-ethenyl-4-methylphenyl)propanoic acid is C=Cc1cc(C)ccc1C(C)C(=O)O.
What is the InChIKey of 2-(2-ethenyl-4-methylphenyl)propanoic acid?
The InChIKey is SUVFZRDXEVVHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-10-7-8(2)5-6-11(10)9(3)12(13)14/h4-7,9H,1H2,2-3H3,(H,13,14).
What are the key properties of 2-(2-ethenyl-4-methylphenyl)propanoic acid?
2-(2-ethenyl-4-methylphenyl)propanoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-4-methylphenyl)propanoic acid is sourced from PubChem (CID 54325809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).