6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one

C18H19FO2 — CID 24881683

IUPAC6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one
SMILESO=C(CCc1ccccc1)CC(O)Cc1ccc(F)cc1
InChIInChI=1S/C18H19FO2/c19-16-9-6-15(7-10-16)12-18(21)13-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10,18,21H,8,11-13H2
InChIKeyCYEBSLUUQBZLOM-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.32
Rot. Bonds7

About 6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one

6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one (PubChem CID 24881683) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one
PubChem CID24881683
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one
SMILESO=C(CCc1ccccc1)CC(O)Cc1ccc(F)cc1
InChIInChI=1S/C18H19FO2/c19-16-9-6-15(7-10-16)12-18(21)13-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10,18,21H,8,11-13H2
InChIKeyCYEBSLUUQBZLOM-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
5-fluoro-1-phenylheptan-3-one
CID 134845186
1-(4-fluorophenyl)-5-phenylpentan-2-one
CID 61079516
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
2-hydroxy-1,5-diphenylpentan-3-one
CID 14469744
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide
CID 22261775
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
(4-fluorophenyl) 3-phenylpropanoate
CID 562084

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one?
The IUPAC name of 6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one (CID 24881683) is 6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one is O=C(CCc1ccccc1)CC(O)Cc1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one?
The InChIKey is CYEBSLUUQBZLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c19-16-9-6-15(7-10-16)12-18(21)13-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10,18,21H,8,11-13H2.
What are the key properties of 6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one?
6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one has a molecular weight of 286.35 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one is sourced from PubChem (CID 24881683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).