2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid

C11H10Cl2N4O3 — CID 57437271

IUPAC2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid
SMILESCc1nnnn1CCOc1c(Cl)ccc(C(=O)O)c1Cl
InChIInChI=1S/C11H10Cl2N4O3/c1-6-14-15-16-17(6)4-5-20-10-8(12)3-2-7(9(10)13)11(18)19/h2-3H,4-5H2,1H3,(H,18,19)
InChIKeyCQMVDJFVCOXVMS-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.07
Rot. Bonds5

About 2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid

2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid (PubChem CID 57437271) has the molecular formula C11H10Cl2N4O3 and a molecular weight of 317.13 g/mol. Its IUPAC name is 2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid
PubChem CID57437271
Molecular FormulaC11H10Cl2N4O3
Molecular Weight317.13 g/mol
Exact Mass316.01
IUPAC Name2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid
SMILESCc1nnnn1CCOc1c(Cl)ccc(C(=O)O)c1Cl
InChIInChI=1S/C11H10Cl2N4O3/c1-6-14-15-16-17(6)4-5-20-10-8(12)3-2-7(9(10)13)11(18)19/h2-3H,4-5H2,1H3,(H,18,19)
InChIKeyCQMVDJFVCOXVMS-UHFFFAOYSA-N
XLogP2.07
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.07
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-(5-methyltetrazol-1-yl)ethoxy]benzoic acid?
The IUPAC name of 2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid (CID 57437271) is 2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid is Cc1nnnn1CCOc1c(Cl)ccc(C(=O)O)c1Cl.
What is the InChIKey of 2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid?
The InChIKey is CQMVDJFVCOXVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O3/c1-6-14-15-16-17(6)4-5-20-10-8(12)3-2-7(9(10)13)11(18)19/h2-3H,4-5H2,1H3,(H,18,19).
What are the key properties of 2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid?
2,4-dichloro-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoic acid has a molecular weight of 317.13 g/mol, XLogP of 2.07, 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-(5-methyltetrazol-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 57437271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).