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

C14H11FO3 — CID 22408591

IUPAC4-fluoro-2-(3-methylphenoxy)benzoic acid
SMILESCc1cccc(Oc2cc(F)ccc2C(=O)O)c1
InChIInChI=1S/C14H11FO3/c1-9-3-2-4-11(7-9)18-13-8-10(15)5-6-12(13)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyXUIIMDWVRVOQJA-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.62
Rot. Bonds3

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

4-fluoro-2-(3-methylphenoxy)benzoic acid (PubChem CID 22408591) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-fluoro-2-(3-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(3-methylphenoxy)benzoic acid
PubChem CID22408591
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name4-fluoro-2-(3-methylphenoxy)benzoic acid
SMILESCc1cccc(Oc2cc(F)ccc2C(=O)O)c1
InChIInChI=1S/C14H11FO3/c1-9-3-2-4-11(7-9)18-13-8-10(15)5-6-12(13)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyXUIIMDWVRVOQJA-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(3-methylphenoxy)benzoic acid
CID 43364853
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
3-fluoro-2-(3-methylphenoxy)benzoic acid
CID 55101471
2-(3-ethylphenoxy)-4-methylbenzoic acid
CID 63513493
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
4-fluoro-2-(2-methyl-3-nitrophenoxy)benzoic acid
CID 107016511
2-(3-methylphenoxy)benzamide
CID 70968841
2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465
2-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-methylphenoxy)benzoic acid?
The IUPAC name of 4-fluoro-2-(3-methylphenoxy)benzoic acid (CID 22408591) is 4-fluoro-2-(3-methylphenoxy)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(3-methylphenoxy)benzoic acid?
The canonical SMILES for 4-fluoro-2-(3-methylphenoxy)benzoic acid is Cc1cccc(Oc2cc(F)ccc2C(=O)O)c1.
What is the InChIKey of 4-fluoro-2-(3-methylphenoxy)benzoic acid?
The InChIKey is XUIIMDWVRVOQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-9-3-2-4-11(7-9)18-13-8-10(15)5-6-12(13)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 4-fluoro-2-(3-methylphenoxy)benzoic acid?
4-fluoro-2-(3-methylphenoxy)benzoic acid has a molecular weight of 246.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-methylphenoxy)benzoic acid is sourced from PubChem (CID 22408591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).