5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one

C22H25FO4 — CID 147101331

IUPAC5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one
SMILESCC(=O)CCCc1ccc(OC2CCC(O)CO2)cc1-c1cccc(F)c1
InChIInChI=1S/C22H25FO4/c1-15(24)4-2-5-16-8-10-20(27-22-11-9-19(25)14-26-22)13-21(16)17-6-3-7-18(23)12-17/h3,6-8,10,12-13,19,22,25H,2,4-5,9,11,14H2,1H3
InChIKeyBKSDKVKQDFOAHR-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.28
Rot. Bonds7

About 5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one

5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one (PubChem CID 147101331) has the molecular formula C22H25FO4 and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one
PubChem CID147101331
Molecular FormulaC22H25FO4
Molecular Weight372.44 g/mol
Exact Mass372.17
IUPAC Name5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one
SMILESCC(=O)CCCc1ccc(OC2CCC(O)CO2)cc1-c1cccc(F)c1
InChIInChI=1S/C22H25FO4/c1-15(24)4-2-5-16-8-10-20(27-22-11-9-19(25)14-26-22)13-21(16)17-6-3-7-18(23)12-17/h3,6-8,10,12-13,19,22,25H,2,4-5,9,11,14H2,1H3
InChIKeyBKSDKVKQDFOAHR-UHFFFAOYSA-N
XLogP4.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,4-dihydroxyoxolan-2-yl)oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134297173
[(3R,4R,5R)-5-benzoyloxy-6-[4-(2,2-dideuterio-4-oxopentyl)-3-(3-fluorophenyl)phenoxy]-2,2,3-trimethyloxan-4-yl] benzoate
CID 161078266
N-[2-[2-(3-fluorophenyl)-4-(4-piperidin-4-ylcyclohexyl)oxyphenyl]ethyl]acetamide
CID 71695640
3-[2-(3-fluorophenyl)-4-[(3R,6S)-3-hydroxy-5-methoxy-6-methyloxan-2-yl]oxyphenyl]-N-methylpropanamide
CID 153365133
[4-(2-acetamidoethyl)-3-(3-fluorophenyl)phenyl] acetate
CID 159122206
N-[2-[4-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-5-methoxy-6-prop-2-enyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 153364985
N-[2-[4-[(2R,3R,4S,5R,6R)-6-butyl-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 170405856
N-[2-[4-[(3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 71696417
N-[2-[4-[[(7R,8R,9S,10R)-8,9-dihydroxy-10-methoxy-6-oxaspiro[4.5]dec-2-en-7-yl]oxy]-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 153365103
[(2S,3R,4R,5R,6S)-2-[4-(2-acetamidoethyl)-3-(3-fluorophenyl)phenoxy]-4-hydroxy-5-methoxy-6-methyloxan-3-yl] benzoate
CID 163513640
N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide
CID 170524040
N-[2-[4-[4-[(2-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134280937

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one?
The IUPAC name of 5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one (CID 147101331) is 5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one.
What is the SMILES notation for 5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one?
The canonical SMILES for 5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one is CC(=O)CCCc1ccc(OC2CCC(O)CO2)cc1-c1cccc(F)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one?
The InChIKey is BKSDKVKQDFOAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO4/c1-15(24)4-2-5-16-8-10-20(27-22-11-9-19(25)14-26-22)13-21(16)17-6-3-7-18(23)12-17/h3,6-8,10,12-13,19,22,25H,2,4-5,9,11,14H2,1H3.
What are the key properties of 5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one?
5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one has a molecular weight of 372.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)-4-(5-hydroxyoxan-2-yl)oxyphenyl]pentan-2-one is sourced from PubChem (CID 147101331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).