2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one

C14H18O2 — CID 10751309

IUPAC2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one
SMILESC=CCC(CC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H18O2/c1-4-6-11(5-2)14(15)12-7-9-13(16-3)10-8-12/h4,7-11H,1,5-6H2,2-3H3
InChIKeyVUOVHYNRDMOTLJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.48
Rot. Bonds6

About 2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one

2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one (PubChem CID 10751309) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one
PubChem CID10751309
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one
SMILESC=CCC(CC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H18O2/c1-4-6-11(5-2)14(15)12-7-9-13(16-3)10-8-12/h4,7-11H,1,5-6H2,2-3H3
InChIKeyVUOVHYNRDMOTLJ-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one
CID 102429180
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 54607588
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988
(2S,5S)-2,5-bis[(dimethylamino)methyl]-1,6-bis(4-methoxyphenyl)hexane-1,6-dione
CID 40877312
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
CID 116574552
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
(2S,3R)-1-(4-methoxyphenyl)-2,3-dimethylpent-4-en-1-one
CID 132529754
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one?
The IUPAC name of 2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one (CID 10751309) is 2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one.
What is the SMILES notation for 2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one?
The canonical SMILES for 2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one is C=CCC(CC)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one?
The InChIKey is VUOVHYNRDMOTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-6-11(5-2)14(15)12-7-9-13(16-3)10-8-12/h4,7-11H,1,5-6H2,2-3H3.
What are the key properties of 2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one?
2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one is sourced from PubChem (CID 10751309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).