2-but-3-enoxy-1-(4-ethylphenyl)ethanone

C14H18O2 — CID 62031033

IUPAC2-but-3-enoxy-1-(4-ethylphenyl)ethanone
SMILESC=CCCOCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H18O2/c1-3-5-10-16-11-14(15)13-8-6-12(4-2)7-9-13/h3,6-9H,1,4-5,10-11H2,2H3
InChIKeyOLZVHKLDDNRGLW-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.02
Rot. Bonds7

About 2-but-3-enoxy-1-(4-ethylphenyl)ethanone

2-but-3-enoxy-1-(4-ethylphenyl)ethanone (PubChem CID 62031033) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-but-3-enoxy-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-but-3-enoxy-1-(4-ethylphenyl)ethanone
PubChem CID62031033
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-but-3-enoxy-1-(4-ethylphenyl)ethanone
SMILESC=CCCOCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H18O2/c1-3-5-10-16-11-14(15)13-8-6-12(4-2)7-9-13/h3,6-9H,1,4-5,10-11H2,2H3
InChIKeyOLZVHKLDDNRGLW-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-1-(4-methylphenyl)ethanone
CID 62029141
2-but-3-enoxy-1-(4-methoxyphenyl)ethanone
CID 62031391
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835
2-but-3-enoxy-1-(2,4-dimethylphenyl)ethanone
CID 62031383
3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
methyl 4-[(2-but-3-enoxyethylamino)methyl]benzoate
CID 103923899
1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62031543
1-(4-ethylphenyl)-3-propoxypropan-1-one
CID 105085935
1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800999
bis(but-3-enyl) benzene-1,4-dicarboxylate
CID 67880179

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-but-3-enoxy-1-(4-ethylphenyl)ethanone (CID 62031033) is 2-but-3-enoxy-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-but-3-enoxy-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-but-3-enoxy-1-(4-ethylphenyl)ethanone is C=CCCOCC(=O)c1ccc(CC)cc1.
What is the InChIKey of 2-but-3-enoxy-1-(4-ethylphenyl)ethanone?
The InChIKey is OLZVHKLDDNRGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-5-10-16-11-14(15)13-8-6-12(4-2)7-9-13/h3,6-9H,1,4-5,10-11H2,2H3.
What are the key properties of 2-but-3-enoxy-1-(4-ethylphenyl)ethanone?
2-but-3-enoxy-1-(4-ethylphenyl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 62031033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).