5-fluoro-2-(5-hydroxypentoxy)benzoic acid

C12H15FO4 — CID 115297887

IUPAC5-fluoro-2-(5-hydroxypentoxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1OCCCCCO
InChIInChI=1S/C12H15FO4/c13-9-4-5-11(10(8-9)12(15)16)17-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7H2,(H,15,16)
InChIKeyXBTGGNUHIMXUPH-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.07
Rot. Bonds7

About 5-fluoro-2-(5-hydroxypentoxy)benzoic acid

5-fluoro-2-(5-hydroxypentoxy)benzoic acid (PubChem CID 115297887) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-fluoro-2-(5-hydroxypentoxy)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(5-hydroxypentoxy)benzoic acid
PubChem CID115297887
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name5-fluoro-2-(5-hydroxypentoxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1OCCCCCO
InChIInChI=1S/C12H15FO4/c13-9-4-5-11(10(8-9)12(15)16)17-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7H2,(H,15,16)
InChIKeyXBTGGNUHIMXUPH-UHFFFAOYSA-N
XLogP2.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.07
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

5-fluoro-2-nonoxybenzoic acid
CID 115297915
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
2-[8-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]octoxy]-5-(2,4-difluorophenyl)benzoic acid
CID 11763391
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
5-fluoro-2-[2-(4-fluorophenyl)sulfanylethoxy]benzoic acid
CID 115297843
6-(2-bromo-5-fluorophenoxy)hexan-1-ol
CID 103867953
3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702043
4-bromo-2-(6-hydroxyhexoxy)benzoic acid
CID 107702160
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
5-fluoro-2-pent-3-ynoxybenzoic acid
CID 104804139
2-[4-(diethylamino)-4-oxobutoxy]-5-fluorobenzoic acid
CID 115298048
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-hydroxypentoxy)benzoic acid?
The IUPAC name of 5-fluoro-2-(5-hydroxypentoxy)benzoic acid (CID 115297887) is 5-fluoro-2-(5-hydroxypentoxy)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(5-hydroxypentoxy)benzoic acid?
The canonical SMILES for 5-fluoro-2-(5-hydroxypentoxy)benzoic acid is O=C(O)c1cc(F)ccc1OCCCCCO.
What is the InChIKey of 5-fluoro-2-(5-hydroxypentoxy)benzoic acid?
The InChIKey is XBTGGNUHIMXUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c13-9-4-5-11(10(8-9)12(15)16)17-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7H2,(H,15,16).
What are the key properties of 5-fluoro-2-(5-hydroxypentoxy)benzoic acid?
5-fluoro-2-(5-hydroxypentoxy)benzoic acid has a molecular weight of 242.25 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-hydroxypentoxy)benzoic acid is sourced from PubChem (CID 115297887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).