3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid

C16H15FO3 — CID 62650459

IUPAC3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid
SMILESCC(C)c1ccccc1Oc1c(F)cccc1C(=O)O
InChIInChI=1S/C16H15FO3/c1-10(2)11-6-3-4-9-14(11)20-15-12(16(18)19)7-5-8-13(15)17/h3-10H,1-2H3,(H,18,19)
InChIKeyUPCDZEIAJYWAOA-UHFFFAOYSA-N
MW274.29 g/mol
LogP4.44
Rot. Bonds4

About 3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid

3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid (PubChem CID 62650459) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid
PubChem CID62650459
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid
SMILESCC(C)c1ccccc1Oc1c(F)cccc1C(=O)O
InChIInChI=1S/C16H15FO3/c1-10(2)11-6-3-4-9-14(11)20-15-12(16(18)19)7-5-8-13(15)17/h3-10H,1-2H3,(H,18,19)
InChIKeyUPCDZEIAJYWAOA-UHFFFAOYSA-N
XLogP4.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(1-phenylethoxy)benzoic acid
CID 55101618
5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 63460702
(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941712
1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506529
3-fluoro-2-(4-methylphenoxy)benzoic acid
CID 62650788
1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413870
3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 66276514
4-bromo-2-(2-propan-2-ylphenoxy)benzoic acid
CID 43364865
calcium;hydride;3-propan-2-yl-2-propan-2-yloxybenzoic acid
CID 173417666
5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
CID 107087316
3-fluoro-2-(3-methylphenoxy)benzoic acid
CID 55101471
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid?
The IUPAC name of 3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid (CID 62650459) is 3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid?
The canonical SMILES for 3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid is CC(C)c1ccccc1Oc1c(F)cccc1C(=O)O.
What is the InChIKey of 3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid?
The InChIKey is UPCDZEIAJYWAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10(2)11-6-3-4-9-14(11)20-15-12(16(18)19)7-5-8-13(15)17/h3-10H,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid?
3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid has a molecular weight of 274.29 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid is sourced from PubChem (CID 62650459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).