2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid

C10H10Cl2O4 — CID 69114724

IUPAC2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid
SMILESCOCC(Oc1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C10H10Cl2O4/c1-15-5-9(10(13)14)16-8-3-6(11)2-7(12)4-8/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeyHOAMUXJQCGJKPN-UHFFFAOYSA-N
MW265.09 g/mol
LogP2.47
Rot. Bonds5

About 2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid

2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid (PubChem CID 69114724) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid
PubChem CID69114724
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Name2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid
SMILESCOCC(Oc1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C10H10Cl2O4/c1-15-5-9(10(13)14)16-8-3-6(11)2-7(12)4-8/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeyHOAMUXJQCGJKPN-UHFFFAOYSA-N
XLogP2.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
CID 103223931
2-(3-ethoxyphenoxy)-3-methoxypropanoic acid
CID 103224091
2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060
2-(3,5-dichlorophenoxy)butanoyl chloride
CID 13239466
(2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 100540705
2-(4-formylphenoxy)-3-methoxypropanoic acid
CID 103224047
3-acetyloxy-2-(4-chlorophenoxy)propanoic acid
CID 172798358
(2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 40579734
2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 13218780
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid
CID 133245667

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid?
The IUPAC name of 2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid (CID 69114724) is 2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid is COCC(Oc1cc(Cl)cc(Cl)c1)C(=O)O.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid?
The InChIKey is HOAMUXJQCGJKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-15-5-9(10(13)14)16-8-3-6(11)2-7(12)4-8/h2-4,9H,5H2,1H3,(H,13,14).
What are the key properties of 2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid?
2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid has a molecular weight of 265.09 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid is sourced from PubChem (CID 69114724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).