2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid

C12H15FO3 — CID 84690473

IUPAC2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
SMILESCC(C)(F)COc1cccc(CC(=O)O)c1
InChIInChI=1S/C12H15FO3/c1-12(2,13)8-16-10-5-3-4-9(6-10)7-11(14)15/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyDKSCIKSQUFSFDC-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.44
Rot. Bonds5

About 2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid

2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid (PubChem CID 84690473) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
PubChem CID84690473
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
SMILESCC(C)(F)COc1cccc(CC(=O)O)c1
InChIInChI=1S/C12H15FO3/c1-12(2,13)8-16-10-5-3-4-9(6-10)7-11(14)15/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyDKSCIKSQUFSFDC-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
CID 106704428
2-[3-(1,1-difluoro-2-methylpropoxy)phenyl]acetic acid
CID 70526950
2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
CID 63899374
2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid
CID 69488903
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-[3-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetic acid
CID 61398227
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-(2,2,2-trifluoroacetyl)oxyphenyl]acetic acid
CID 54390666
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
2-[3-[2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]ethoxy]phenyl]acetic acid
CID 11619007
2-(3-octoxyphenyl)acetic acid
CID 11975056

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid (CID 84690473) is 2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid is CC(C)(F)COc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid?
The InChIKey is DKSCIKSQUFSFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-12(2,13)8-16-10-5-3-4-9(6-10)7-11(14)15/h3-6H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid?
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid has a molecular weight of 226.25 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid is sourced from PubChem (CID 84690473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).