3-fluoro-2-hydroxy-6-methylbenzoic acid

C8H7FO3 — CID 64855766

IUPAC3-fluoro-2-hydroxy-6-methylbenzoic acid
SMILESCc1ccc(F)c(O)c1C(=O)O
InChIInChI=1S/C8H7FO3/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyODVRRRPJABRNDV-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.54
Rot. Bonds1

About 3-fluoro-2-hydroxy-6-methylbenzoic acid

3-fluoro-2-hydroxy-6-methylbenzoic acid (PubChem CID 64855766) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-6-methylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-6-methylbenzoic acid
PubChem CID64855766
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Name3-fluoro-2-hydroxy-6-methylbenzoic acid
SMILESCc1ccc(F)c(O)c1C(=O)O
InChIInChI=1S/C8H7FO3/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyODVRRRPJABRNDV-UHFFFAOYSA-N
XLogP1.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-formyl-6-methylbenzoic acid
CID 170904709
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
2-fluoro-6-methylbenzoic acid
CID 13478132
6-fluoro-2-methoxy-3-methylbenzoic acid
CID 84659421
2,6-difluoro-3-methylphenol;ethane
CID 143572521
3-hydroxy-4-methylphthalic acid
CID 139814560
4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid
CID 162534074
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 131169270
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
CID 171017806
3-fluoro-6-iodo-2-methylbenzoic acid
CID 71149386

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-6-methylbenzoic acid?
The IUPAC name of 3-fluoro-2-hydroxy-6-methylbenzoic acid (CID 64855766) is 3-fluoro-2-hydroxy-6-methylbenzoic acid.
What is the SMILES notation for 3-fluoro-2-hydroxy-6-methylbenzoic acid?
The canonical SMILES for 3-fluoro-2-hydroxy-6-methylbenzoic acid is Cc1ccc(F)c(O)c1C(=O)O.
What is the InChIKey of 3-fluoro-2-hydroxy-6-methylbenzoic acid?
The InChIKey is ODVRRRPJABRNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3,10H,1H3,(H,11,12).
What are the key properties of 3-fluoro-2-hydroxy-6-methylbenzoic acid?
3-fluoro-2-hydroxy-6-methylbenzoic acid has a molecular weight of 170.14 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-6-methylbenzoic acid is sourced from PubChem (CID 64855766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).