1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one

C14H16O — CID 177043900

IUPAC1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one
SMILESC=CCCC(=O)c1ccc(C(=C)C)cc1
InChIInChI=1S/C14H16O/c1-4-5-6-14(15)13-9-7-12(8-10-13)11(2)3/h4,7-10H,1-2,5-6H2,3H3
InChIKeyGZCZNEMSAHCRNJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one

1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one (PubChem CID 177043900) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one
PubChem CID177043900
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one
SMILESC=CCCC(=O)c1ccc(C(=C)C)cc1
InChIInChI=1S/C14H16O/c1-4-5-6-14(15)13-9-7-12(8-10-13)11(2)3/h4,7-10H,1-2,5-6H2,3H3
InChIKeyGZCZNEMSAHCRNJ-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-methylphenyl)pent-4-en-1-one
CID 114974964
1-(3,4-diethoxyphenyl)pent-4-en-1-one
CID 114974982
1-(4-tert-butylphenyl)hex-5-en-1-one
CID 114974758
1-(3-methoxy-4-methylphenyl)pent-4-en-1-one
CID 114974988
3-bromoprop-1-ene;N-methyl-N-[(E)-1-phenylethylideneamino]methanamine;1-phenylpent-4-en-1-one
CID 172956096
1-(3-fluoro-4-methoxyphenyl)pent-4-en-1-one
CID 146006736
1-(4-amino-3-bromophenyl)pent-4-en-1-one
CID 116582002
methane;4-(4-methylphenyl)-4-oxobutanal
CID 143644548
1-[4-(1,1-difluoroethylsulfanyl)phenyl]hex-5-en-1-one
CID 123309776
1-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 83700582

Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one?
The IUPAC name of 1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one (CID 177043900) is 1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one.
What is the SMILES notation for 1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one?
The canonical SMILES for 1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one is C=CCCC(=O)c1ccc(C(=C)C)cc1.
What is the InChIKey of 1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one?
The InChIKey is GZCZNEMSAHCRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-4-5-6-14(15)13-9-7-12(8-10-13)11(2)3/h4,7-10H,1-2,5-6H2,3H3.
What are the key properties of 1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one?
1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one is sourced from PubChem (CID 177043900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).