(Z)-3-phenylprop-2-enoic acid

C9H8O2 — CID 5372954

IUPAC(Z)-3-phenylprop-2-enoic acid
SMILESO=C(O)/C=C\c1ccccc1
InChIInChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
InChIKeyWBYWAXJHAXSJNI-SREVYHEPSA-N
MW148.16 g/mol
LogP1.78
Rot. Bonds2

About (Z)-3-phenylprop-2-enoic acid

(Z)-3-phenylprop-2-enoic acid (PubChem CID 5372954) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is (Z)-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-phenylprop-2-enoic acid
PubChem CID5372954
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name(Z)-3-phenylprop-2-enoic acid
SMILESO=C(O)/C=C\c1ccccc1
InChIInChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
InChIKeyWBYWAXJHAXSJNI-SREVYHEPSA-N
XLogP1.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-phenylprop-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

Related Compounds

bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
ethane;methanamine;(E)-3-phenylprop-2-enoic acid
CID 142207731
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
CID 141192681
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
ethanol;3-phenylprop-2-enoic acid
CID 158830805
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
buta-1,3-diene;3-phenylprop-2-enoic acid;styrene
CID 158154064

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-phenylprop-2-enoic acid (CID 5372954) is (Z)-3-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-phenylprop-2-enoic acid is O=C(O)/C=C\c1ccccc1.
What is the InChIKey of (Z)-3-phenylprop-2-enoic acid?
The InChIKey is WBYWAXJHAXSJNI-SREVYHEPSA-N. The full InChI is InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-.
What are the key properties of (Z)-3-phenylprop-2-enoic acid?
(Z)-3-phenylprop-2-enoic acid has a molecular weight of 148.16 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenylprop-2-enoic acid is sourced from PubChem (CID 5372954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).