2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid

C19H21FO5 — CID 156719111

IUPAC2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid
SMILESCOc1cc(F)c(CCCc2cccc(OCC(=O)O)c2)cc1OC
InChIInChI=1S/C19H21FO5/c1-23-17-10-14(16(20)11-18(17)24-2)7-3-5-13-6-4-8-15(9-13)25-12-19(21)22/h4,6,8-11H,3,5,7,12H2,1-2H3,(H,21,22)
InChIKeyQWEGYODQBBGDRW-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.48
Rot. Bonds9

About 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid

2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid (PubChem CID 156719111) has the molecular formula C19H21FO5 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid
PubChem CID156719111
Molecular FormulaC19H21FO5
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid
SMILESCOc1cc(F)c(CCCc2cccc(OCC(=O)O)c2)cc1OC
InChIInChI=1S/C19H21FO5/c1-23-17-10-14(16(20)11-18(17)24-2)7-3-5-13-6-4-8-15(9-13)25-12-19(21)22/h4,6,8-11H,3,5,7,12H2,1-2H3,(H,21,22)
InChIKeyQWEGYODQBBGDRW-UHFFFAOYSA-N
XLogP3.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(2-hydroxy-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid
CID 156719095
2-[3-[3-(4-hydroxy-3-methoxyphenyl)propyl]phenoxy]acetic acid
CID 156719126
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
2-[3-(14-iodotetradecyl)phenoxy]acetic acid
CID 118534007
2-[3-(3-methylsulfonyloxypropyl)phenoxy]acetic acid
CID 87488256
2-[3-[3-(3,4-dimethoxyphenyl)propyl]phenoxy]-N-(hydroperoxymethyl)acetamide
CID 170058578
2-[3-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenoxy]acetic acid
CID 66775227
2-[3-[3-(3-benzhydryl-6-oxo-1H-pyridazin-4-yl)propyl]phenoxy]acetic acid
CID 68982071
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid
CID 66775114
2-[3-(7-tert-butylsulfonylheptyl)phenoxy]acetic acid
CID 158703910
tert-butyl 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]acetate
CID 146315607
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid
CID 119246780

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid (CID 156719111) is 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid is COc1cc(F)c(CCCc2cccc(OCC(=O)O)c2)cc1OC.
What is the InChIKey of 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid?
The InChIKey is QWEGYODQBBGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO5/c1-23-17-10-14(16(20)11-18(17)24-2)7-3-5-13-6-4-8-15(9-13)25-12-19(21)22/h4,6,8-11H,3,5,7,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid?
2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid has a molecular weight of 348.37 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid is sourced from PubChem (CID 156719111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).