6-(4-fluorophenyl)-3-hydroxyhexanoic acid

C12H15FO3 — CID 69088979

IUPAC6-(4-fluorophenyl)-3-hydroxyhexanoic acid
SMILESO=C(O)CC(O)CCCc1ccc(F)cc1
InChIInChI=1S/C12H15FO3/c13-10-6-4-9(5-7-10)2-1-3-11(14)8-12(15)16/h4-7,11,14H,1-3,8H2,(H,15,16)
InChIKeyJIWRDMIEJFRLOA-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.98
Rot. Bonds6

About 6-(4-fluorophenyl)-3-hydroxyhexanoic acid

6-(4-fluorophenyl)-3-hydroxyhexanoic acid (PubChem CID 69088979) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-hydroxyhexanoic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-hydroxyhexanoic acid
PubChem CID69088979
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name6-(4-fluorophenyl)-3-hydroxyhexanoic acid
SMILESO=C(O)CC(O)CCCc1ccc(F)cc1
InChIInChI=1S/C12H15FO3/c13-10-6-4-9(5-7-10)2-1-3-11(14)8-12(15)16/h4-7,11,14H,1-3,8H2,(H,15,16)
InChIKeyJIWRDMIEJFRLOA-UHFFFAOYSA-N
XLogP1.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid
CID 22389750
6-(4-fluorophenyl)hexanoic acid
CID 14739735
3-hydroxy-6-phenylhexanethioic S-acid
CID 87597942
2-[4-(4-fluorophenyl)butanoylamino]butanedioic acid
CID 82224351
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
3-hydroxy-5-(4-methylsulfonylphenyl)pentanoic acid
CID 174954090
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
(3R,5S)-7-[2-[2-(4-fluorophenyl)ethyl]phenyl]-3,5-dihydroxyhept-6-enoic acid
CID 70356818
6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one
CID 24881683
6-(4-ethylphenyl)hexan-3-ol
CID 64514640

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-hydroxyhexanoic acid?
The IUPAC name of 6-(4-fluorophenyl)-3-hydroxyhexanoic acid (CID 69088979) is 6-(4-fluorophenyl)-3-hydroxyhexanoic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-3-hydroxyhexanoic acid?
The canonical SMILES for 6-(4-fluorophenyl)-3-hydroxyhexanoic acid is O=C(O)CC(O)CCCc1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-hydroxyhexanoic acid?
The InChIKey is JIWRDMIEJFRLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c13-10-6-4-9(5-7-10)2-1-3-11(14)8-12(15)16/h4-7,11,14H,1-3,8H2,(H,15,16).
What are the key properties of 6-(4-fluorophenyl)-3-hydroxyhexanoic acid?
6-(4-fluorophenyl)-3-hydroxyhexanoic acid has a molecular weight of 226.25 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-hydroxyhexanoic acid is sourced from PubChem (CID 69088979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).