4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid

C12H14N4O4 — CID 139351628

IUPAC4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
SMILESCc1nnn(CC(O)COc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C12H14N4O4/c1-8-13-15-16(14-8)6-10(17)7-20-11-4-2-9(3-5-11)12(18)19/h2-5,10,17H,6-7H2,1H3,(H,18,19)
InChIKeyAGVRHMHGVRBIDZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.12
Rot. Bonds6

About 4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid

4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid (PubChem CID 139351628) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
PubChem CID139351628
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
SMILESCc1nnn(CC(O)COc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C12H14N4O4/c1-8-13-15-16(14-8)6-10(17)7-20-11-4-2-9(3-5-11)12(18)19/h2-5,10,17H,6-7H2,1H3,(H,18,19)
InChIKeyAGVRHMHGVRBIDZ-UHFFFAOYSA-N
XLogP0.12
TPSA110.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid?
The IUPAC name of 4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid (CID 139351628) is 4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid.
What is the SMILES notation for 4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid?
The canonical SMILES for 4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid is Cc1nnn(CC(O)COc2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid?
The InChIKey is AGVRHMHGVRBIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-8-13-15-16(14-8)6-10(17)7-20-11-4-2-9(3-5-11)12(18)19/h2-5,10,17H,6-7H2,1H3,(H,18,19).
What are the key properties of 4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid?
4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid has a molecular weight of 278.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid is sourced from PubChem (CID 139351628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).