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

C9H9FO3 — CID 2774487

IUPAC2-fluoro-5-(2-hydroxyethyl)benzoic acid
SMILESO=C(O)c1cc(CCO)ccc1F
InChIInChI=1S/C9H9FO3/c10-8-2-1-6(3-4-11)5-7(8)9(12)13/h1-2,5,11H,3-4H2,(H,12,13)
InChIKeyGTOBYTRERKSETL-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.06
Rot. Bonds3

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

2-fluoro-5-(2-hydroxyethyl)benzoic acid (PubChem CID 2774487) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-fluoro-5-(2-hydroxyethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(2-hydroxyethyl)benzoic acid
PubChem CID2774487
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name2-fluoro-5-(2-hydroxyethyl)benzoic acid
SMILESO=C(O)c1cc(CCO)ccc1F
InChIInChI=1S/C9H9FO3/c10-8-2-1-6(3-4-11)5-7(8)9(12)13/h1-2,5,11H,3-4H2,(H,12,13)
InChIKeyGTOBYTRERKSETL-UHFFFAOYSA-N
XLogP1.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid
CID 105464870
5-(chloromethyl)-2-fluorobenzoic acid
CID 112692924
5-(2,2-dimethylpropyl)-2-fluorobenzoic acid
CID 115026901
5-[2-(2-carboxyphenyl)-2-oxoethyl]-2-fluorobenzoic acid
CID 153291500
2-fluoro-5-[(propan-2-ylamino)methyl]benzoic acid
CID 117222086
5-[(2,5-difluorophenyl)sulfanylmethyl]-2-fluorobenzoic acid
CID 107881371
2-fluoro-5-[(4-oxo-1-pyridinyl)methyl]benzoic acid
CID 107880974
5-(1,3-dihydroisoindol-2-ylmethyl)-2-fluorobenzoic acid
CID 107880673
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid
CID 117304986
5-[(N-ethylanilino)methyl]-2-fluorobenzoic acid
CID 107880589

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-hydroxyethyl)benzoic acid?
The IUPAC name of 2-fluoro-5-(2-hydroxyethyl)benzoic acid (CID 2774487) is 2-fluoro-5-(2-hydroxyethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(2-hydroxyethyl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(2-hydroxyethyl)benzoic acid is O=C(O)c1cc(CCO)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-hydroxyethyl)benzoic acid?
The InChIKey is GTOBYTRERKSETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-8-2-1-6(3-4-11)5-7(8)9(12)13/h1-2,5,11H,3-4H2,(H,12,13).
What are the key properties of 2-fluoro-5-(2-hydroxyethyl)benzoic acid?
2-fluoro-5-(2-hydroxyethyl)benzoic acid has a molecular weight of 184.17 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-hydroxyethyl)benzoic acid is sourced from PubChem (CID 2774487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).