2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid

C10H11FO5 — CID 82843214

IUPAC2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1OCC(O)CO
InChIInChI=1S/C10H11FO5/c11-6-1-2-9(8(3-6)10(14)15)16-5-7(13)4-12/h1-3,7,12-13H,4-5H2,(H,14,15)
InChIKeyLHZHNOCVMFEFBR-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.26
Rot. Bonds5

About 2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid

2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid (PubChem CID 82843214) has the molecular formula C10H11FO5 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
PubChem CID82843214
Molecular FormulaC10H11FO5
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1OCC(O)CO
InChIInChI=1S/C10H11FO5/c11-6-1-2-9(8(3-6)10(14)15)16-5-7(13)4-12/h1-3,7,12-13H,4-5H2,(H,14,15)
InChIKeyLHZHNOCVMFEFBR-UHFFFAOYSA-N
XLogP0.26
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropoxy)benzoic acid;hydrate
CID 141305923
5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 115298042
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
1-[2-(3-chloro-2-hydroxypropoxy)-5-fluorophenyl]ethanone
CID 112560860
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
4-chloro-2-(2,3-dihydroxypropoxy)benzoic acid
CID 82842018
4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
CID 107014327
2-(2,3-dihydroxypropylsulfanyl)-5-fluorobenzoic acid
CID 79672427
3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 107695240
5-fluoro-2-nonoxybenzoic acid
CID 115297915
2-but-2-ynoxy-5-fluorobenzoic acid
CID 115297884

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid?
The IUPAC name of 2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid (CID 82843214) is 2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid?
The canonical SMILES for 2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1OCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid?
The InChIKey is LHZHNOCVMFEFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5/c11-6-1-2-9(8(3-6)10(14)15)16-5-7(13)4-12/h1-3,7,12-13H,4-5H2,(H,14,15).
What are the key properties of 2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid?
2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid has a molecular weight of 230.19 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid is sourced from PubChem (CID 82843214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).