2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid

C10H8Cl2N4O3 — CID 57437270

IUPAC2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(OCCn2cnnn2)c1Cl
InChIInChI=1S/C10H8Cl2N4O3/c11-7-2-1-6(10(17)18)8(12)9(7)19-4-3-16-5-13-14-15-16/h1-2,5H,3-4H2,(H,17,18)
InChIKeyAUNGFAYSGBWNTK-UHFFFAOYSA-N
MW303.10 g/mol
LogP1.76
Rot. Bonds5

About 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid

2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid (PubChem CID 57437270) has the molecular formula C10H8Cl2N4O3 and a molecular weight of 303.10 g/mol. Its IUPAC name is 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid
PubChem CID57437270
Molecular FormulaC10H8Cl2N4O3
Molecular Weight303.10 g/mol
Exact Mass302.00
IUPAC Name2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(OCCn2cnnn2)c1Cl
InChIInChI=1S/C10H8Cl2N4O3/c11-7-2-1-6(10(17)18)8(12)9(7)19-4-3-16-5-13-14-15-16/h1-2,5H,3-4H2,(H,17,18)
InChIKeyAUNGFAYSGBWNTK-UHFFFAOYSA-N
XLogP1.76
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid?
The IUPAC name of 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid (CID 57437270) is 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid is O=C(O)c1ccc(Cl)c(OCCn2cnnn2)c1Cl.
What is the InChIKey of 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid?
The InChIKey is AUNGFAYSGBWNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O3/c11-7-2-1-6(10(17)18)8(12)9(7)19-4-3-16-5-13-14-15-16/h1-2,5H,3-4H2,(H,17,18).
What are the key properties of 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid?
2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid has a molecular weight of 303.10 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 57437270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).