2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid

C15H12F2O3 — CID 80742274

IUPAC2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCc1cccc(F)c1F
InChIInChI=1S/C15H12F2O3/c16-12-6-3-5-11(15(12)17)9-20-13-7-2-1-4-10(13)8-14(18)19/h1-7H,8-9H2,(H,18,19)
InChIKeyORAOEOFFIJAODU-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.17
Rot. Bonds5

About 2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid

2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid (PubChem CID 80742274) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
PubChem CID80742274
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCc1cccc(F)c1F
InChIInChI=1S/C15H12F2O3/c16-12-6-3-5-11(15(12)17)9-20-13-7-2-1-4-10(13)8-14(18)19/h1-7H,8-9H2,(H,18,19)
InChIKeyORAOEOFFIJAODU-UHFFFAOYSA-N
XLogP3.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721
2-[(2,3-difluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697829
3-bromo-4-[(2,3-difluorophenyl)methoxy]benzoic acid
CID 60711645
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
CID 43233816
4-[(2,3-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107674089
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63097860
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 162141376

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid (CID 80742274) is 2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid is O=C(O)Cc1ccccc1OCc1cccc(F)c1F.
What is the InChIKey of 2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid?
The InChIKey is ORAOEOFFIJAODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c16-12-6-3-5-11(15(12)17)9-20-13-7-2-1-4-10(13)8-14(18)19/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid?
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid has a molecular weight of 278.25 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 80742274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).