methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate

C19H21FO3 — CID 175141706

IUPACmethyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate
SMILESCOC(=O)C(CCC(CO)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C19H21FO3/c1-23-19(22)18(14-6-3-2-4-7-14)11-10-16(13-21)15-8-5-9-17(20)12-15/h2-9,12,16,18,21H,10-11,13H2,1H3
InChIKeyKJUHUQRJZLPASK-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.64
Rot. Bonds7

About methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate

methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate (PubChem CID 175141706) has the molecular formula C19H21FO3 and a molecular weight of 316.37 g/mol. Its IUPAC name is methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate.

Molecular Properties

Compound Namemethyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate
PubChem CID175141706
Molecular FormulaC19H21FO3
Molecular Weight316.37 g/mol
Exact Mass316.15
IUPAC Namemethyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate
SMILESCOC(=O)C(CCC(CO)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C19H21FO3/c1-23-19(22)18(14-6-3-2-4-7-14)11-10-16(13-21)15-8-5-9-17(20)12-15/h2-9,12,16,18,21H,10-11,13H2,1H3
InChIKeyKJUHUQRJZLPASK-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104568651
4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
CID 79431449
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 112592372
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 129358899
methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 117243295
methyl 6-oxo-2,5-diphenylhexanoate
CID 175142316
methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
CID 117243479
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 2-phenylheptanoate
CID 143443478

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate?
The IUPAC name of methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate (CID 175141706) is methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate.
What is the SMILES notation for methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate?
The canonical SMILES for methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate is COC(=O)C(CCC(CO)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate?
The InChIKey is KJUHUQRJZLPASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO3/c1-23-19(22)18(14-6-3-2-4-7-14)11-10-16(13-21)15-8-5-9-17(20)12-15/h2-9,12,16,18,21H,10-11,13H2,1H3.
What are the key properties of methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate?
methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate has a molecular weight of 316.37 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate is sourced from PubChem (CID 175141706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).