(Z)-4-methyl-2-phenylpent-2-enal

C12H14O — CID 5363896

IUPAC(Z)-4-methyl-2-phenylpent-2-enal
SMILESCC(C)/C=C(\C=O)c1ccccc1
InChIInChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+
InChIKeyULRYRAHIBWLZKC-XYOKQWHBSA-N
MW174.24 g/mol
LogP2.92
Rot. Bonds3

About (Z)-4-methyl-2-phenylpent-2-enal

(Z)-4-methyl-2-phenylpent-2-enal (PubChem CID 5363896) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (Z)-4-methyl-2-phenylpent-2-enal.

Molecular Properties

Compound Name(Z)-4-methyl-2-phenylpent-2-enal
PubChem CID5363896
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(Z)-4-methyl-2-phenylpent-2-enal
SMILESCC(C)/C=C(\C=O)c1ccccc1
InChIInChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+
InChIKeyULRYRAHIBWLZKC-XYOKQWHBSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-methyl-2-phenylpent-2-enal 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 (Z)-4-methyl-2-phenylpent-2-enal?
The IUPAC name of (Z)-4-methyl-2-phenylpent-2-enal (CID 5363896) is (Z)-4-methyl-2-phenylpent-2-enal.
What is the SMILES notation for (Z)-4-methyl-2-phenylpent-2-enal?
The canonical SMILES for (Z)-4-methyl-2-phenylpent-2-enal is CC(C)/C=C(\C=O)c1ccccc1.
What is the InChIKey of (Z)-4-methyl-2-phenylpent-2-enal?
The InChIKey is ULRYRAHIBWLZKC-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+.
What are the key properties of (Z)-4-methyl-2-phenylpent-2-enal?
(Z)-4-methyl-2-phenylpent-2-enal has a molecular weight of 174.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-phenylpent-2-enal is sourced from PubChem (CID 5363896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).