2-[3-(2-hydroxyethyl)phenoxy]acetic acid

C10H12O4 — CID 19830841

IUPAC2-[3-(2-hydroxyethyl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCO)c1
InChIInChI=1S/C10H12O4/c11-5-4-8-2-1-3-9(6-8)14-7-10(12)13/h1-3,6,11H,4-5,7H2,(H,12,13)
InChIKeyPZYZCGAMJZWCSE-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.68
Rot. Bonds5

About 2-[3-(2-hydroxyethyl)phenoxy]acetic acid

2-[3-(2-hydroxyethyl)phenoxy]acetic acid (PubChem CID 19830841) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)phenoxy]acetic acid
PubChem CID19830841
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-[3-(2-hydroxyethyl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCO)c1
InChIInChI=1S/C10H12O4/c11-5-4-8-2-1-3-9(6-8)14-7-10(12)13/h1-3,6,11H,4-5,7H2,(H,12,13)
InChIKeyPZYZCGAMJZWCSE-UHFFFAOYSA-N
XLogP0.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(14-iodotetradecyl)phenoxy]acetic acid
CID 118534007
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
2-[3-(3-methylsulfonyloxypropyl)phenoxy]acetic acid
CID 87488256
(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid
CID 169025333
2-[3-[3-(4-hydroxy-3-methoxyphenyl)propyl]phenoxy]acetic acid
CID 156719126
2-[3-(4-trityloxybutyl)phenoxy]acetic acid
CID 21221283
2-[3-[3-(2-hydroxy-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid
CID 156719095
2-[3-(7-tert-butylsulfonylheptyl)phenoxy]acetic acid
CID 158703910
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
2-phenoxyacetic acid;titanium
CID 174896747
2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid
CID 156719111
2-[3-[2-(5-benzhydryltetrazol-2-yl)ethyl]phenoxy]acetic acid
CID 10319609

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-hydroxyethyl)phenoxy]acetic acid (CID 19830841) is 2-[3-(2-hydroxyethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-hydroxyethyl)phenoxy]acetic acid is O=C(O)COc1cccc(CCO)c1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)phenoxy]acetic acid?
The InChIKey is PZYZCGAMJZWCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-5-4-8-2-1-3-9(6-8)14-7-10(12)13/h1-3,6,11H,4-5,7H2,(H,12,13).
What are the key properties of 2-[3-(2-hydroxyethyl)phenoxy]acetic acid?
2-[3-(2-hydroxyethyl)phenoxy]acetic acid has a molecular weight of 196.20 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)phenoxy]acetic acid is sourced from PubChem (CID 19830841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).