(E)-4-phenylbut-3-enoic acid

C10H10O2 — CID 5370625

IUPAC(E)-4-phenylbut-3-enoic acid
SMILESO=C(O)C/C=C/c1ccccc1
InChIInChI=1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+
InChIKeyPSCXFXNEYIHJST-QPJJXVBHSA-N
MW162.19 g/mol
LogP2.17
Rot. Bonds3

About (E)-4-phenylbut-3-enoic acid

(E)-4-phenylbut-3-enoic acid (PubChem CID 5370625) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (E)-4-phenylbut-3-enoic acid.

Molecular Properties

Compound Name(E)-4-phenylbut-3-enoic acid
PubChem CID5370625
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(E)-4-phenylbut-3-enoic acid
SMILESO=C(O)C/C=C/c1ccccc1
InChIInChI=1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+
InChIKeyPSCXFXNEYIHJST-QPJJXVBHSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-4-phenylbut-3-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)-4-phenylbut-3-enoic acid?
The IUPAC name of (E)-4-phenylbut-3-enoic acid (CID 5370625) is (E)-4-phenylbut-3-enoic acid.
What is the SMILES notation for (E)-4-phenylbut-3-enoic acid?
The canonical SMILES for (E)-4-phenylbut-3-enoic acid is O=C(O)C/C=C/c1ccccc1.
What is the InChIKey of (E)-4-phenylbut-3-enoic acid?
The InChIKey is PSCXFXNEYIHJST-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+.
What are the key properties of (E)-4-phenylbut-3-enoic acid?
(E)-4-phenylbut-3-enoic acid has a molecular weight of 162.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenylbut-3-enoic acid is sourced from PubChem (CID 5370625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).