4-methoxy-1-phenylpent-4-en-2-one

C12H14O2 — CID 143549548

IUPAC4-methoxy-1-phenylpent-4-en-2-one
SMILESC=C(CC(=O)Cc1ccccc1)OC
InChIInChI=1S/C12H14O2/c1-10(14-2)8-12(13)9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKeyRYIPDFFZVMVQLI-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.35
Rot. Bonds5

About 4-methoxy-1-phenylpent-4-en-2-one

4-methoxy-1-phenylpent-4-en-2-one (PubChem CID 143549548) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-methoxy-1-phenylpent-4-en-2-one.

Molecular Properties

Compound Name4-methoxy-1-phenylpent-4-en-2-one
PubChem CID143549548
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-methoxy-1-phenylpent-4-en-2-one
SMILESC=C(CC(=O)Cc1ccccc1)OC
InChIInChI=1S/C12H14O2/c1-10(14-2)8-12(13)9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKeyRYIPDFFZVMVQLI-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
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methyl 2-benzylprop-2-enoate
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CID 172801156
CID 172801156
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1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
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4,4-dimethoxy-1-phenylbutan-2-one
CID 154136374
ethyl 2,4-dioxo-5-phenylpentanoate
CID 11085699
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
carbon dioxide;methyl 2-phenylacetate
CID 159198536
5-methyl-1,4-diphenylhex-4-en-2-one
CID 102590808
2-benzyl-N,N-dimethylprop-2-enamide
CID 67100318

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenylpent-4-en-2-one?
The IUPAC name of 4-methoxy-1-phenylpent-4-en-2-one (CID 143549548) is 4-methoxy-1-phenylpent-4-en-2-one.
What is the SMILES notation for 4-methoxy-1-phenylpent-4-en-2-one?
The canonical SMILES for 4-methoxy-1-phenylpent-4-en-2-one is C=C(CC(=O)Cc1ccccc1)OC.
What is the InChIKey of 4-methoxy-1-phenylpent-4-en-2-one?
The InChIKey is RYIPDFFZVMVQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-10(14-2)8-12(13)9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3.
What are the key properties of 4-methoxy-1-phenylpent-4-en-2-one?
4-methoxy-1-phenylpent-4-en-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenylpent-4-en-2-one is sourced from PubChem (CID 143549548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).