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

C14H11FO3 — CID 62650788

IUPAC3-fluoro-2-(4-methylphenoxy)benzoic acid
SMILESCc1ccc(Oc2c(F)cccc2C(=O)O)cc1
InChIInChI=1S/C14H11FO3/c1-9-5-7-10(8-6-9)18-13-11(14(16)17)3-2-4-12(13)15/h2-8H,1H3,(H,16,17)
InChIKeyVIBDSRDAHAEDHM-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.62
Rot. Bonds3

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

3-fluoro-2-(4-methylphenoxy)benzoic acid (PubChem CID 62650788) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-fluoro-2-(4-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(4-methylphenoxy)benzoic acid
PubChem CID62650788
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name3-fluoro-2-(4-methylphenoxy)benzoic acid
SMILESCc1ccc(Oc2c(F)cccc2C(=O)O)cc1
InChIInChI=1S/C14H11FO3/c1-9-5-7-10(8-6-9)18-13-11(14(16)17)3-2-4-12(13)15/h2-8H,1H3,(H,16,17)
InChIKeyVIBDSRDAHAEDHM-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

3-fluoro-2-(3-methylphenoxy)benzoic acid
CID 55101471
2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid
CID 55101715
1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584
2-(3-cyano-5-methoxyphenoxy)-3-fluorobenzoic acid
CID 103566607
2-butoxy-3-fluorobenzoic acid
CID 62648647
2-[(5-chloro-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 64601752
N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide
CID 110165961
2-(4-acetylphenoxy)-3-methylbenzoic acid
CID 61395933
2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81342191
4-(2-acetyl-6-fluorophenoxy)benzonitrile
CID 114058519
3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 62650459
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 103174512

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methylphenoxy)benzoic acid?
The IUPAC name of 3-fluoro-2-(4-methylphenoxy)benzoic acid (CID 62650788) is 3-fluoro-2-(4-methylphenoxy)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(4-methylphenoxy)benzoic acid?
The canonical SMILES for 3-fluoro-2-(4-methylphenoxy)benzoic acid is Cc1ccc(Oc2c(F)cccc2C(=O)O)cc1.
What is the InChIKey of 3-fluoro-2-(4-methylphenoxy)benzoic acid?
The InChIKey is VIBDSRDAHAEDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-9-5-7-10(8-6-9)18-13-11(14(16)17)3-2-4-12(13)15/h2-8H,1H3,(H,16,17).
What are the key properties of 3-fluoro-2-(4-methylphenoxy)benzoic acid?
3-fluoro-2-(4-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 3-fluoro-2-(4-methylphenoxy)benzoic acid is sourced from PubChem (CID 62650788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).