4-phenylpent-3-en-2-one

C11H12O — CID 594380

IUPAC4-phenylpent-3-en-2-one
SMILESCC(=O)C=C(C)c1ccccc1
InChIInChI=1S/C11H12O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyXURWDTLVUCJELJ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.68
Rot. Bonds2

About 4-phenylpent-3-en-2-one

4-phenylpent-3-en-2-one (PubChem CID 594380) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-phenylpent-3-en-2-one.

Molecular Properties

Compound Name4-phenylpent-3-en-2-one
PubChem CID594380
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name4-phenylpent-3-en-2-one
SMILESCC(=O)C=C(C)c1ccccc1
InChIInChI=1S/C11H12O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyXURWDTLVUCJELJ-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-phenylpent-3-en-2-one 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

ethane;4-phenylpent-3-en-2-one
CID 123324566
3-phenylbut-2-enoate
CID 6995278
methyl (E)-3-phenylbut-2-enoate
CID 5354835
[(Z)-3-oxo-1-phenylbut-1-enyl]oxidanium
CID 6390563
4,4-diphenylbut-3-en-2-one;hydrazine
CID 158754130
(Z)-4-(4-bromophenyl)pent-3-en-2-one
CID 23336317
4,4-diphenylbut-3-en-2-one;ethane;propan-2-one
CID 91332557
1,3,5-triphenylhexa-2,4-dien-1-one
CID 628086
1-chloro-4-phenylpent-3-en-2-one
CID 88656703
gallium tris(3-oxo-1-phenylbut-1-en-1-olate)
CID 73160345
5-bromo-4-phenylpent-3-en-2-one
CID 54089835
sodium (Z)-3-oxo-1-phenylbut-1-en-1-olate
CID 23681715

Frequently Asked Questions

What is the IUPAC name of 4-phenylpent-3-en-2-one?
The IUPAC name of 4-phenylpent-3-en-2-one (CID 594380) is 4-phenylpent-3-en-2-one.
What is the SMILES notation for 4-phenylpent-3-en-2-one?
The canonical SMILES for 4-phenylpent-3-en-2-one is CC(=O)C=C(C)c1ccccc1.
What is the InChIKey of 4-phenylpent-3-en-2-one?
The InChIKey is XURWDTLVUCJELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 4-phenylpent-3-en-2-one?
4-phenylpent-3-en-2-one has a molecular weight of 160.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpent-3-en-2-one is sourced from PubChem (CID 594380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).