2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one

C16H14F2O3 — CID 11231640

IUPAC2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C(F)(F)C(O)c2ccccc2)cc1
InChIInChI=1S/C16H14F2O3/c1-21-13-9-7-12(8-10-13)15(20)16(17,18)14(19)11-5-3-2-4-6-11/h2-10,14,19H,1H3
InChIKeyKPYIMVOKIUOZAD-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.25
Rot. Bonds5

About 2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one

2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 11231640) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID11231640
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C(F)(F)C(O)c2ccccc2)cc1
InChIInChI=1S/C16H14F2O3/c1-21-13-9-7-12(8-10-13)15(20)16(17,18)14(19)11-5-3-2-4-6-11/h2-10,14,19H,1H3
InChIKeyKPYIMVOKIUOZAD-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one (CID 11231640) is 2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one is COc1ccc(C(=O)C(F)(F)C(O)c2ccccc2)cc1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is KPYIMVOKIUOZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-21-13-9-7-12(8-10-13)15(20)16(17,18)14(19)11-5-3-2-4-6-11/h2-10,14,19H,1H3.
What are the key properties of 2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 292.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 11231640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).