2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid

C8H6Cl2O4 — CID 14496899

IUPAC2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
SMILESO=C(O)COc1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl2O4/c9-7-4(11)1-2-5(8(7)10)14-3-6(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyPTUZURKWSNAIJM-UHFFFAOYSA-N
MW237.04 g/mol
LogP2.16
Rot. Bonds3

About 2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid

2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid (PubChem CID 14496899) has the molecular formula C8H6Cl2O4 and a molecular weight of 237.04 g/mol. Its IUPAC name is 2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
PubChem CID14496899
Molecular FormulaC8H6Cl2O4
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
SMILESO=C(O)COc1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl2O4/c9-7-4(11)1-2-5(8(7)10)14-3-6(12)13/h1-2,11H,3H2,(H,12,13)
InChIKeyPTUZURKWSNAIJM-UHFFFAOYSA-N
XLogP2.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

prop-2-enoic acid;2-(2,3,4-trichlorophenoxy)acetic acid
CID 161126130
2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid
CID 54098560
2-[2,3-dichloro-4-(3-methylbut-2-enoyl)phenoxy]acetic acid
CID 70453603
CID 131854846
CID 131854846
2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid
CID 70446965
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
CID 69118840
3-(2-chloro-3-hydroxyphenoxy)propanoic acid
CID 138109800
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid?
The IUPAC name of 2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid (CID 14496899) is 2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid.
What is the SMILES notation for 2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid?
The canonical SMILES for 2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid is O=C(O)COc1ccc(O)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid?
The InChIKey is PTUZURKWSNAIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O4/c9-7-4(11)1-2-5(8(7)10)14-3-6(12)13/h1-2,11H,3H2,(H,12,13).
What are the key properties of 2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid?
2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid has a molecular weight of 237.04 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid is sourced from PubChem (CID 14496899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).