3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid

C16H14N4O3 — CID 67315467

IUPAC3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
SMILESCCOc1ccccc1-c1cc(C(=O)O)cc(-n2cnnn2)c1
InChIInChI=1S/C16H14N4O3/c1-2-23-15-6-4-3-5-14(15)11-7-12(16(21)22)9-13(8-11)20-10-17-18-19-20/h3-10H,2H2,1H3,(H,21,22)
InChIKeySUCRNGDWJBTVNZ-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.43
Rot. Bonds5

About 3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid

3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid (PubChem CID 67315467) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
PubChem CID67315467
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
SMILESCCOc1ccccc1-c1cc(C(=O)O)cc(-n2cnnn2)c1
InChIInChI=1S/C16H14N4O3/c1-2-23-15-6-4-3-5-14(15)11-7-12(16(21)22)9-13(8-11)20-10-17-18-19-20/h3-10H,2H2,1H3,(H,21,22)
InChIKeySUCRNGDWJBTVNZ-UHFFFAOYSA-N
XLogP2.43
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
The IUPAC name of 3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid (CID 67315467) is 3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid is CCOc1ccccc1-c1cc(C(=O)O)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
The InChIKey is SUCRNGDWJBTVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-2-23-15-6-4-3-5-14(15)11-7-12(16(21)22)9-13(8-11)20-10-17-18-19-20/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of 3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid has a molecular weight of 310.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-(tetrazol-1-yl)benzoic acid is sourced from PubChem (CID 67315467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).