2-(4-ethenyl-3-ethylphenyl)acetic acid

C12H14O2 — CID 143512870

IUPAC2-(4-ethenyl-3-ethylphenyl)acetic acid
SMILESC=Cc1ccc(CC(=O)O)cc1CC
InChIInChI=1S/C12H14O2/c1-3-10-6-5-9(8-12(13)14)7-11(10)4-2/h3,5-7H,1,4,8H2,2H3,(H,13,14)
InChIKeyUDVMEJYKSNHDKE-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.52
Rot. Bonds4

About 2-(4-ethenyl-3-ethylphenyl)acetic acid

2-(4-ethenyl-3-ethylphenyl)acetic acid (PubChem CID 143512870) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(4-ethenyl-3-ethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-ethenyl-3-ethylphenyl)acetic acid
PubChem CID143512870
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(4-ethenyl-3-ethylphenyl)acetic acid
SMILESC=Cc1ccc(CC(=O)O)cc1CC
InChIInChI=1S/C12H14O2/c1-3-10-6-5-9(8-12(13)14)7-11(10)4-2/h3,5-7H,1,4,8H2,2H3,(H,13,14)
InChIKeyUDVMEJYKSNHDKE-UHFFFAOYSA-N
XLogP2.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-3-ethylphenyl)acetic acid?
The IUPAC name of 2-(4-ethenyl-3-ethylphenyl)acetic acid (CID 143512870) is 2-(4-ethenyl-3-ethylphenyl)acetic acid.
What is the SMILES notation for 2-(4-ethenyl-3-ethylphenyl)acetic acid?
The canonical SMILES for 2-(4-ethenyl-3-ethylphenyl)acetic acid is C=Cc1ccc(CC(=O)O)cc1CC.
What is the InChIKey of 2-(4-ethenyl-3-ethylphenyl)acetic acid?
The InChIKey is UDVMEJYKSNHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-10-6-5-9(8-12(13)14)7-11(10)4-2/h3,5-7H,1,4,8H2,2H3,(H,13,14).
What are the key properties of 2-(4-ethenyl-3-ethylphenyl)acetic acid?
2-(4-ethenyl-3-ethylphenyl)acetic acid has a molecular weight of 190.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-3-ethylphenyl)acetic acid is sourced from PubChem (CID 143512870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).