2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid

C10H11FO4 — CID 18444769

IUPAC2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid
SMILESCCOc1cc(O)c(F)c(CC(=O)O)c1
InChIInChI=1S/C10H11FO4/c1-2-15-7-3-6(4-9(13)14)10(11)8(12)5-7/h3,5,12H,2,4H2,1H3,(H,13,14)
InChIKeyGWUTWOSHPSXOHJ-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.56
Rot. Bonds4

About 2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid

2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid (PubChem CID 18444769) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid
PubChem CID18444769
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid
SMILESCCOc1cc(O)c(F)c(CC(=O)O)c1
InChIInChI=1S/C10H11FO4/c1-2-15-7-3-6(4-9(13)14)10(11)8(12)5-7/h3,5,12H,2,4H2,1H3,(H,13,14)
InChIKeyGWUTWOSHPSXOHJ-UHFFFAOYSA-N
XLogP1.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-2-fluoro-3-methylphenol
CID 164891522
1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one
CID 117287584
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
CID 18444799
1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
CID 819891
2-[3-(bromomethyl)-2-fluoro-5-methoxyphenyl]acetic acid
CID 130139281
2-(2,3,4,5-tetrafluorophenyl)acetic acid
CID 18625682
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde
CID 87669895
1-(3-ethoxy-5-fluorophenyl)propan-2-one
CID 118813373
4-ethoxy-2-fluoro-6-hydroxybenzonitrile
CID 131422202
2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170999024

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid (CID 18444769) is 2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid is CCOc1cc(O)c(F)c(CC(=O)O)c1.
What is the InChIKey of 2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid?
The InChIKey is GWUTWOSHPSXOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-2-15-7-3-6(4-9(13)14)10(11)8(12)5-7/h3,5,12H,2,4H2,1H3,(H,13,14).
What are the key properties of 2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid?
2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid has a molecular weight of 214.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid is sourced from PubChem (CID 18444769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).