4-(3-fluoro-2-hydroxypropoxy)benzoic acid

C10H11FO4 — CID 155165109

IUPAC4-(3-fluoro-2-hydroxypropoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC(O)CF)cc1
InChIInChI=1S/C10H11FO4/c11-5-8(12)6-15-9-3-1-7(2-4-9)10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeyBPNPAJUMXMMKCY-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.09
Rot. Bonds5

About 4-(3-fluoro-2-hydroxypropoxy)benzoic acid

4-(3-fluoro-2-hydroxypropoxy)benzoic acid (PubChem CID 155165109) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-(3-fluoro-2-hydroxypropoxy)benzoic acid.

Molecular Properties

Compound Name4-(3-fluoro-2-hydroxypropoxy)benzoic acid
PubChem CID155165109
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name4-(3-fluoro-2-hydroxypropoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC(O)CF)cc1
InChIInChI=1S/C10H11FO4/c11-5-8(12)6-15-9-3-1-7(2-4-9)10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeyBPNPAJUMXMMKCY-UHFFFAOYSA-N
XLogP1.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
4-(fluoromethoxy)benzoic acid
CID 21180271
4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid
CID 3151266
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]benzoic acid
CID 40563095
4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
CID 139351628
bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone
CID 53311159
benzoic acid;1-phenoxypropan-2-ol
CID 70185912
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
4-[(2R,3R)-2,3-dimethoxybutoxy]benzoic acid
CID 54309665
1-fluoro-3-[4-[2-[4-(2-hydroxy-3-phosphanylpropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 143919875
ethyl 4-[(2S)-2-hydroxybutoxy]benzoate
CID 15106108

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-hydroxypropoxy)benzoic acid?
The IUPAC name of 4-(3-fluoro-2-hydroxypropoxy)benzoic acid (CID 155165109) is 4-(3-fluoro-2-hydroxypropoxy)benzoic acid.
What is the SMILES notation for 4-(3-fluoro-2-hydroxypropoxy)benzoic acid?
The canonical SMILES for 4-(3-fluoro-2-hydroxypropoxy)benzoic acid is O=C(O)c1ccc(OCC(O)CF)cc1.
What is the InChIKey of 4-(3-fluoro-2-hydroxypropoxy)benzoic acid?
The InChIKey is BPNPAJUMXMMKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c11-5-8(12)6-15-9-3-1-7(2-4-9)10(13)14/h1-4,8,12H,5-6H2,(H,13,14).
What are the key properties of 4-(3-fluoro-2-hydroxypropoxy)benzoic acid?
4-(3-fluoro-2-hydroxypropoxy)benzoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-hydroxypropoxy)benzoic acid is sourced from PubChem (CID 155165109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).