(E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid

C11H11FO2 — CID 55255383

IUPAC(E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc(C)c(F)c1)C(=O)O
InChIInChI=1S/C11H11FO2/c1-7-3-4-9(6-10(7)12)5-8(2)11(13)14/h3-6H,1-2H3,(H,13,14)/b8-5+
InChIKeyUCXNFANGYJLHKQ-VMPITWQZSA-N
MW194.20 g/mol
LogP2.62
Rot. Bonds2

About (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid

(E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid (PubChem CID 55255383) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid
PubChem CID55255383
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name(E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc(C)c(F)c1)C(=O)O
InChIInChI=1S/C11H11FO2/c1-7-3-4-9(6-10(7)12)5-8(2)11(13)14/h3-6H,1-2H3,(H,13,14)/b8-5+
InChIKeyUCXNFANGYJLHKQ-VMPITWQZSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid (CID 55255383) is (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid is C/C(=C\c1ccc(C)c(F)c1)C(=O)O.
What is the InChIKey of (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid?
The InChIKey is UCXNFANGYJLHKQ-VMPITWQZSA-N. The full InChI is InChI=1S/C11H11FO2/c1-7-3-4-9(6-10(7)12)5-8(2)11(13)14/h3-6H,1-2H3,(H,13,14)/b8-5+.
What are the key properties of (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid?
(E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid has a molecular weight of 194.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 55255383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).