7-(3-fluorophenoxy)-2-hydroxyheptanoic acid

C13H17FO4 — CID 66822207

IUPAC7-(3-fluorophenoxy)-2-hydroxyheptanoic acid
SMILESO=C(O)C(O)CCCCCOc1cccc(F)c1
InChIInChI=1S/C13H17FO4/c14-10-5-4-6-11(9-10)18-8-3-1-2-7-12(15)13(16)17/h4-6,9,12,15H,1-3,7-8H2,(H,16,17)
InChIKeyXNVJOPHXGZDCDC-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.21
Rot. Bonds8

About 7-(3-fluorophenoxy)-2-hydroxyheptanoic acid

7-(3-fluorophenoxy)-2-hydroxyheptanoic acid (PubChem CID 66822207) has the molecular formula C13H17FO4 and a molecular weight of 256.27 g/mol. Its IUPAC name is 7-(3-fluorophenoxy)-2-hydroxyheptanoic acid.

Molecular Properties

Compound Name7-(3-fluorophenoxy)-2-hydroxyheptanoic acid
PubChem CID66822207
Molecular FormulaC13H17FO4
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name7-(3-fluorophenoxy)-2-hydroxyheptanoic acid
SMILESO=C(O)C(O)CCCCCOc1cccc(F)c1
InChIInChI=1S/C13H17FO4/c14-10-5-4-6-11(9-10)18-8-3-1-2-7-12(15)13(16)17/h4-6,9,12,15H,1-3,7-8H2,(H,16,17)
InChIKeyXNVJOPHXGZDCDC-UHFFFAOYSA-N
XLogP2.21
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916
3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167434
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
2-[4-[4-(3-fluorophenoxy)butoxy]phenyl]-2-oxoacetic acid
CID 19004356
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
5-(3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 65255314
6-(3-fluorophenoxy)hexan-3-amine
CID 106800736
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
(2S)-2-[4-(3-fluorophenoxy)butanoylamino]-3-methylbutanoic acid
CID 119359981
3-[4-(3-fluorophenoxy)butanoylamino]-2-phenylpropanoic acid
CID 119254459

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenoxy)-2-hydroxyheptanoic acid?
The IUPAC name of 7-(3-fluorophenoxy)-2-hydroxyheptanoic acid (CID 66822207) is 7-(3-fluorophenoxy)-2-hydroxyheptanoic acid.
What is the SMILES notation for 7-(3-fluorophenoxy)-2-hydroxyheptanoic acid?
The canonical SMILES for 7-(3-fluorophenoxy)-2-hydroxyheptanoic acid is O=C(O)C(O)CCCCCOc1cccc(F)c1.
What is the InChIKey of 7-(3-fluorophenoxy)-2-hydroxyheptanoic acid?
The InChIKey is XNVJOPHXGZDCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO4/c14-10-5-4-6-11(9-10)18-8-3-1-2-7-12(15)13(16)17/h4-6,9,12,15H,1-3,7-8H2,(H,16,17).
What are the key properties of 7-(3-fluorophenoxy)-2-hydroxyheptanoic acid?
7-(3-fluorophenoxy)-2-hydroxyheptanoic acid has a molecular weight of 256.27 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenoxy)-2-hydroxyheptanoic acid is sourced from PubChem (CID 66822207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).