2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid

C17H16F2O4 — CID 71294679

IUPAC2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid
SMILESCC(OCC(=O)O)c1ccc(OCc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H16F2O4/c1-11(22-10-17(20)21)12-2-5-15(6-3-12)23-9-13-8-14(18)4-7-16(13)19/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyWKFWACFHMSFHAD-UHFFFAOYSA-N
MW322.31 g/mol
LogP3.71
Rot. Bonds7

About 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid

2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid (PubChem CID 71294679) has the molecular formula C17H16F2O4 and a molecular weight of 322.31 g/mol. Its IUPAC name is 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid
PubChem CID71294679
Molecular FormulaC17H16F2O4
Molecular Weight322.31 g/mol
Exact Mass322.10
IUPAC Name2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid
SMILESCC(OCC(=O)O)c1ccc(OCc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H16F2O4/c1-11(22-10-17(20)21)12-2-5-15(6-3-12)23-9-13-8-14(18)4-7-16(13)19/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyWKFWACFHMSFHAD-UHFFFAOYSA-N
XLogP3.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethanol
CID 78930848
2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole
CID 71294532
4-fluoro-3-[(4-propan-2-ylphenoxy)methyl]benzoic acid
CID 63530478
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
1,4-difluoro-2-(propan-2-yloxymethyl)benzene
CID 58479340
potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63678052
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanol
CID 104894080
4-fluoro-3-[[4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 78930543
4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 104637832
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid?
The IUPAC name of 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid (CID 71294679) is 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid.
What is the SMILES notation for 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid?
The canonical SMILES for 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid is CC(OCC(=O)O)c1ccc(OCc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid?
The InChIKey is WKFWACFHMSFHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O4/c1-11(22-10-17(20)21)12-2-5-15(6-3-12)23-9-13-8-14(18)4-7-16(13)19/h2-8,11H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid?
2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid has a molecular weight of 322.31 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid is sourced from PubChem (CID 71294679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).