2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid

C15H12Cl2O5 — CID 71391068

IUPAC2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2c(O)cc(Cl)cc2Cl)cc1)C(=O)O
InChIInChI=1S/C15H12Cl2O5/c1-8(15(19)20)21-10-2-4-11(5-3-10)22-14-12(17)6-9(16)7-13(14)18/h2-8,18H,1H3,(H,19,20)
InChIKeySNHIETHIRHERMR-UHFFFAOYSA-N
MW343.16 g/mol
LogP4.34
Rot. Bonds5

About 2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid

2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid (PubChem CID 71391068) has the molecular formula C15H12Cl2O5 and a molecular weight of 343.16 g/mol. Its IUPAC name is 2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid
PubChem CID71391068
Molecular FormulaC15H12Cl2O5
Molecular Weight343.16 g/mol
Exact Mass342.01
IUPAC Name2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2c(O)cc(Cl)cc2Cl)cc1)C(=O)O
InChIInChI=1S/C15H12Cl2O5/c1-8(15(19)20)21-10-2-4-11(5-3-10)22-14-12(17)6-9(16)7-13(14)18/h2-8,18H,1H3,(H,19,20)
InChIKeySNHIETHIRHERMR-UHFFFAOYSA-N
XLogP4.34
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072
(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid
CID 138684246
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
2-(3-hydroxy-4-methylphenoxy)propanoic acid
CID 90064680
2-(4-chlorophenoxy)propanoic acid;2,2-dichloropropanoic acid
CID 67571013
CID 67929203
CID 67929203

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid (CID 71391068) is 2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid is CC(Oc1ccc(Oc2c(O)cc(Cl)cc2Cl)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid?
The InChIKey is SNHIETHIRHERMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O5/c1-8(15(19)20)21-10-2-4-11(5-3-10)22-14-12(17)6-9(16)7-13(14)18/h2-8,18H,1H3,(H,19,20).
What are the key properties of 2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid?
2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid has a molecular weight of 343.16 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid is sourced from PubChem (CID 71391068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).