1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone

C15H20O3 — CID 54849524

IUPAC1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone
SMILESC=CCc1cc(C(C)=O)ccc1OCCOCC
InChIInChI=1S/C15H20O3/c1-4-6-14-11-13(12(3)16)7-8-15(14)18-10-9-17-5-2/h4,7-8,11H,1,5-6,9-10H2,2-3H3
InChIKeyCSVKXVYKWYGVFA-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.03
Rot. Bonds8

About 1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone

1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone (PubChem CID 54849524) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone
PubChem CID54849524
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone
SMILESC=CCc1cc(C(C)=O)ccc1OCCOCC
InChIInChI=1S/C15H20O3/c1-4-6-14-11-13(12(3)16)7-8-15(14)18-10-9-17-5-2/h4,7-8,11H,1,5-6,9-10H2,2-3H3
InChIKeyCSVKXVYKWYGVFA-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone
CID 54849540
1-(4-butoxy-3-ethylphenyl)ethanone
CID 90741782
1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
1-[4-(3-bromopropoxy)-3-prop-2-enylphenyl]butan-1-one
CID 10734825
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748
1-[4-ethoxy-3-(2-propan-2-yloxyethoxymethyl)phenyl]ethanone
CID 60862201
1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone
CID 126558424
1-(3,4-diheptoxyphenyl)ethanone
CID 23127596
1-[3,4-di(nonoxy)phenyl]ethanone
CID 23127426
1-[4-ethoxy-3-(3-methylbutoxymethyl)phenyl]ethanone
CID 60861705
1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
CID 54517444

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone?
The IUPAC name of 1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone (CID 54849524) is 1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone is C=CCc1cc(C(C)=O)ccc1OCCOCC.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone?
The InChIKey is CSVKXVYKWYGVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-6-14-11-13(12(3)16)7-8-15(14)18-10-9-17-5-2/h4,7-8,11H,1,5-6,9-10H2,2-3H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone?
1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone has a molecular weight of 248.32 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone is sourced from PubChem (CID 54849524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).