1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone

C15H15FO4 — CID 118351372

IUPAC1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone
SMILESCC(=O)C1=CC(c2ccc(F)cc2)CC(O)(C(C)=O)O1
InChIInChI=1S/C15H15FO4/c1-9(17)14-7-12(8-15(19,20-14)10(2)18)11-3-5-13(16)6-4-11/h3-7,12,19H,8H2,1-2H3
InChIKeyUGWMKCHLDGZTHA-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.08
Rot. Bonds3

About 1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone

1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone (PubChem CID 118351372) has the molecular formula C15H15FO4 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone
PubChem CID118351372
Molecular FormulaC15H15FO4
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone
SMILESCC(=O)C1=CC(c2ccc(F)cc2)CC(O)(C(C)=O)O1
InChIInChI=1S/C15H15FO4/c1-9(17)14-7-12(8-15(19,20-14)10(2)18)11-3-5-13(16)6-4-11/h3-7,12,19H,8H2,1-2H3
InChIKeyUGWMKCHLDGZTHA-UHFFFAOYSA-N
XLogP2.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone?
The IUPAC name of 1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone (CID 118351372) is 1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone.
What is the SMILES notation for 1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone?
The canonical SMILES for 1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone is CC(=O)C1=CC(c2ccc(F)cc2)CC(O)(C(C)=O)O1.
What is the InChIKey of 1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone?
The InChIKey is UGWMKCHLDGZTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO4/c1-9(17)14-7-12(8-15(19,20-14)10(2)18)11-3-5-13(16)6-4-11/h3-7,12,19H,8H2,1-2H3.
What are the key properties of 1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone?
1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone has a molecular weight of 278.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-4-(4-fluorophenyl)-2-hydroxy-3,4-dihydropyran-6-yl]ethanone is sourced from PubChem (CID 118351372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).