2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid

C11H13FO3 — CID 126565610

IUPAC2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
SMILESCC(C)c1cc(OCC(=O)O)ccc1F
InChIInChI=1S/C11H13FO3/c1-7(2)9-5-8(3-4-10(9)12)15-6-11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyAVUSWZBCLUURFK-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid

2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid (PubChem CID 126565610) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
PubChem CID126565610
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
SMILESCC(C)c1cc(OCC(=O)O)ccc1F
InChIInChI=1S/C11H13FO3/c1-7(2)9-5-8(3-4-10(9)12)15-6-11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyAVUSWZBCLUURFK-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
propan-2-yl 2-(3,4-difluorophenoxy)acetate
CID 60730764
5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyrimidine
CID 163255187
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
2-(3-chloro-5-fluorophenoxy)acetic acid
CID 23273755

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid?
The IUPAC name of 2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid (CID 126565610) is 2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid?
The canonical SMILES for 2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid is CC(C)c1cc(OCC(=O)O)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid?
The InChIKey is AVUSWZBCLUURFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7(2)9-5-8(3-4-10(9)12)15-6-11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid?
2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid has a molecular weight of 212.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid is sourced from PubChem (CID 126565610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).