(2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid

C17H14Cl2N2O4 — CID 57425002

IUPAC(2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid
SMILESC[C@H](Oc1cc(Oc2c3ccccc3nn2C)c(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C17H14Cl2N2O4/c1-9(17(22)23)24-14-8-15(12(19)7-11(14)18)25-16-10-5-3-4-6-13(10)20-21(16)2/h3-9H,1-2H3,(H,22,23)/t9-/m0/s1
InChIKeyJZAWXUSXBHUVRC-VIFPVBQESA-N
MW381.22 g/mol
LogP4.52
Rot. Bonds5

About (2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid

(2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid (PubChem CID 57425002) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is (2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid
PubChem CID57425002
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name(2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid
SMILESC[C@H](Oc1cc(Oc2c3ccccc3nn2C)c(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C17H14Cl2N2O4/c1-9(17(22)23)24-14-8-15(12(19)7-11(14)18)25-16-10-5-3-4-6-13(10)20-21(16)2/h3-9H,1-2H3,(H,22,23)/t9-/m0/s1
InChIKeyJZAWXUSXBHUVRC-VIFPVBQESA-N
XLogP4.52
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid?
The IUPAC name of (2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid (CID 57425002) is (2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid is C[C@H](Oc1cc(Oc2c3ccccc3nn2C)c(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid?
The InChIKey is JZAWXUSXBHUVRC-VIFPVBQESA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-9(17(22)23)24-14-8-15(12(19)7-11(14)18)25-16-10-5-3-4-6-13(10)20-21(16)2/h3-9H,1-2H3,(H,22,23)/t9-/m0/s1.
What are the key properties of (2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid?
(2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid has a molecular weight of 381.22 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2,4-dichloro-5-(2-methylindazol-3-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 57425002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).