5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one

C19H15FO3 — CID 10859857

IUPAC5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one
SMILESCc1occ(-c2ccc(F)cc2)c(=O)c1OCc1ccccc1
InChIInChI=1S/C19H15FO3/c1-13-19(23-11-14-5-3-2-4-6-14)18(21)17(12-22-13)15-7-9-16(20)10-8-15/h2-10,12H,11H2,1H3
InChIKeyLBESRHJIXCZKKN-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.33
Rot. Bonds4

About 5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one

5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one (PubChem CID 10859857) has the molecular formula C19H15FO3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one
PubChem CID10859857
Molecular FormulaC19H15FO3
Molecular Weight310.32 g/mol
Exact Mass310.10
IUPAC Name5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one
SMILESCc1occ(-c2ccc(F)cc2)c(=O)c1OCc1ccccc1
InChIInChI=1S/C19H15FO3/c1-13-19(23-11-14-5-3-2-4-6-14)18(21)17(12-22-13)15-7-9-16(20)10-8-15/h2-10,12H,11H2,1H3
InChIKeyLBESRHJIXCZKKN-UHFFFAOYSA-N
XLogP4.33
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethoxy-2-phenylacetophenone
CID 90571
Chalcone epoxide
CID 92219
Benzoin ethyl ether
CID 101778
Methyl Benzoin
CID 98097
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
4-Fluorochalcone oxide
CID 162531
2-Oxo-2-phenylethyl 4-methylbenzoate
CID 570679
Benzoin acetate
CID 95416
DL-Benzoin benzoate
CID 246708
Benzoin isobutyl ether
CID 90794
Betulinan C
CID 71657973
3-Benzyloxy-2-methyl-4-pyrone
CID 1490119

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one (CID 10859857) is 5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one is Cc1occ(-c2ccc(F)cc2)c(=O)c1OCc1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one?
The InChIKey is LBESRHJIXCZKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO3/c1-13-19(23-11-14-5-3-2-4-6-14)18(21)17(12-22-13)15-7-9-16(20)10-8-15/h2-10,12H,11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one?
5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one has a molecular weight of 310.32 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-3-phenylmethoxypyran-4-one is sourced from PubChem (CID 10859857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).