1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone

C17H15FO2 — CID 67854442

IUPAC1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone
SMILESC=CCOc1ccc(-c2ccc(C(C)=O)cc2F)cc1
InChIInChI=1S/C17H15FO2/c1-3-10-20-15-7-4-13(5-8-15)16-9-6-14(12(2)19)11-17(16)18/h3-9,11H,1,10H2,2H3
InChIKeyYMRCAJSHOIUWHS-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.26
Rot. Bonds5

About 1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone

1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone (PubChem CID 67854442) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone
PubChem CID67854442
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone
SMILESC=CCOc1ccc(-c2ccc(C(C)=O)cc2F)cc1
InChIInChI=1S/C17H15FO2/c1-3-10-20-15-7-4-13(5-8-15)16-9-6-14(12(2)19)11-17(16)18/h3-9,11H,1,10H2,2H3
InChIKeyYMRCAJSHOIUWHS-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.26
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

methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
4-(4-decoxyphenyl)-3-fluorobenzoic acid
CID 15156905
3-fluoro-4-(4-prop-2-enylphenyl)benzoic acid
CID 67697446
6-[4-[3-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59768932
1-(4-prop-2-enoxyphenyl)butane-1,3-dione
CID 54091970
(E)-7-[4-[2-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]phenyl]hept-6-en-2-ol
CID 70265319
(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate
CID 139854089
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
[3-fluoro-4-[4-(2-methylprop-2-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 146620506
[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 147470296

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone (CID 67854442) is 1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone is C=CCOc1ccc(-c2ccc(C(C)=O)cc2F)cc1.
What is the InChIKey of 1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone?
The InChIKey is YMRCAJSHOIUWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-3-10-20-15-7-4-13(5-8-15)16-9-6-14(12(2)19)11-17(16)18/h3-9,11H,1,10H2,2H3.
What are the key properties of 1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone?
1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone has a molecular weight of 270.30 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 67854442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).