3-(2-chloro-3-hydroxyphenoxy)propanoic acid

C9H9ClO4 — CID 138109800

IUPAC3-(2-chloro-3-hydroxyphenoxy)propanoic acid
SMILESO=C(O)CCOc1cccc(O)c1Cl
InChIInChI=1S/C9H9ClO4/c10-9-6(11)2-1-3-7(9)14-5-4-8(12)13/h1-3,11H,4-5H2,(H,12,13)
InChIKeyJKETWAIXSMQNBI-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.90
Rot. Bonds4

About 3-(2-chloro-3-hydroxyphenoxy)propanoic acid

3-(2-chloro-3-hydroxyphenoxy)propanoic acid (PubChem CID 138109800) has the molecular formula C9H9ClO4 and a molecular weight of 216.62 g/mol. Its IUPAC name is 3-(2-chloro-3-hydroxyphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-chloro-3-hydroxyphenoxy)propanoic acid
PubChem CID138109800
Molecular FormulaC9H9ClO4
Molecular Weight216.62 g/mol
Exact Mass216.02
IUPAC Name3-(2-chloro-3-hydroxyphenoxy)propanoic acid
SMILESO=C(O)CCOc1cccc(O)c1Cl
InChIInChI=1S/C9H9ClO4/c10-9-6(11)2-1-3-7(9)14-5-4-8(12)13/h1-3,11H,4-5H2,(H,12,13)
InChIKeyJKETWAIXSMQNBI-UHFFFAOYSA-N
XLogP1.90
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-chloro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 70922527
2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid
CID 94694082
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
CID 14496899
CID 131885829
CID 131885829
3-[(2-oxo-1H-pyridin-3-yl)oxy]propanoic acid
CID 82056005
4-(3-hydroxy-2-propylphenoxy)butanoic acid
CID 67632631
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
3-[3-(2,3-dichlorophenoxy)propanoyl-(oxan-4-yl)amino]propanoic acid
CID 154750558
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
3-[4,5-diamino-2-(2-carboxyethoxy)phenoxy]propanoic acid
CID 147252154

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-hydroxyphenoxy)propanoic acid?
The IUPAC name of 3-(2-chloro-3-hydroxyphenoxy)propanoic acid (CID 138109800) is 3-(2-chloro-3-hydroxyphenoxy)propanoic acid.
What is the SMILES notation for 3-(2-chloro-3-hydroxyphenoxy)propanoic acid?
The canonical SMILES for 3-(2-chloro-3-hydroxyphenoxy)propanoic acid is O=C(O)CCOc1cccc(O)c1Cl.
What is the InChIKey of 3-(2-chloro-3-hydroxyphenoxy)propanoic acid?
The InChIKey is JKETWAIXSMQNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4/c10-9-6(11)2-1-3-7(9)14-5-4-8(12)13/h1-3,11H,4-5H2,(H,12,13).
What are the key properties of 3-(2-chloro-3-hydroxyphenoxy)propanoic acid?
3-(2-chloro-3-hydroxyphenoxy)propanoic acid has a molecular weight of 216.62 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-hydroxyphenoxy)propanoic acid is sourced from PubChem (CID 138109800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).