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

C19H20O3 — CID 54849540

IUPAC1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone
SMILESC=CCc1cc(C(C)=O)ccc1OCCOc1ccccc1
InChIInChI=1S/C19H20O3/c1-3-7-17-14-16(15(2)20)10-11-19(17)22-13-12-21-18-8-5-4-6-9-18/h3-6,8-11,14H,1,7,12-13H2,2H3
InChIKeyGAMXEOINGXAXDS-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.08
Rot. Bonds8

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

1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone (PubChem CID 54849540) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone
PubChem CID54849540
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone
SMILESC=CCc1cc(C(C)=O)ccc1OCCOc1ccccc1
InChIInChI=1S/C19H20O3/c1-3-7-17-14-16(15(2)20)10-11-19(17)22-13-12-21-18-8-5-4-6-9-18/h3-6,8-11,14H,1,7,12-13H2,2H3
InChIKeyGAMXEOINGXAXDS-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.08
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-(2-phenoxyethoxy)-3-propylphenyl]ethanone
CID 126558424
1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone
CID 54849524
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]-3-prop-2-enylphenyl]propanoic acid
CID 18443418
1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
3-[4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22679956
decyl 3-(hydroxymethyl)-4-(2-phenoxyethoxy)benzoate
CID 135297927
1-(4-butoxy-3-ethylphenyl)ethanone
CID 90741782
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748
3-bromo-4-(2-phenoxyethoxy)-N-prop-2-enylbenzamide
CID 54793549
methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone
CID 161243882
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone?
The IUPAC name of 1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone (CID 54849540) is 1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone?
The canonical SMILES for 1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone is C=CCc1cc(C(C)=O)ccc1OCCOc1ccccc1.
What is the InChIKey of 1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone?
The InChIKey is GAMXEOINGXAXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-7-17-14-16(15(2)20)10-11-19(17)22-13-12-21-18-8-5-4-6-9-18/h3-6,8-11,14H,1,7,12-13H2,2H3.
What are the key properties of 1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone?
1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone has a molecular weight of 296.37 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone is sourced from PubChem (CID 54849540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).