2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid

C10H11FO3 — CID 117287628

IUPAC2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid
SMILESCc1cc(F)c(C(=O)O)cc1C(C)O
InChIInChI=1S/C10H11FO3/c1-5-3-9(11)8(10(13)14)4-7(5)6(2)12/h3-4,6,12H,1-2H3,(H,13,14)
InChIKeyOJGZKUAKYWHWCU-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.89
Rot. Bonds2

About 2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid

2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid (PubChem CID 117287628) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid
PubChem CID117287628
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid
SMILESCc1cc(F)c(C(=O)O)cc1C(C)O
InChIInChI=1S/C10H11FO3/c1-5-3-9(11)8(10(13)14)4-7(5)6(2)12/h3-4,6,12H,1-2H3,(H,13,14)
InChIKeyOJGZKUAKYWHWCU-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid?
The IUPAC name of 2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid (CID 117287628) is 2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid.
What is the SMILES notation for 2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid?
The canonical SMILES for 2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid is Cc1cc(F)c(C(=O)O)cc1C(C)O.
What is the InChIKey of 2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid?
The InChIKey is OJGZKUAKYWHWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-5-3-9(11)8(10(13)14)4-7(5)6(2)12/h3-4,6,12H,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid?
2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid is sourced from PubChem (CID 117287628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).