3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid

C15H11ClN4O3 — CID 67316008

IUPAC3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
SMILESCOc1ccc(Cl)cc1-c1cc(C(=O)O)cc(-n2cnnn2)c1
InChIInChI=1S/C15H11ClN4O3/c1-23-14-3-2-11(16)7-13(14)9-4-10(15(21)22)6-12(5-9)20-8-17-18-19-20/h2-8H,1H3,(H,21,22)
InChIKeyFIARZMXLHSOJHY-UHFFFAOYSA-N
MW330.73 g/mol
LogP2.69
Rot. Bonds4

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

3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid (PubChem CID 67316008) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
PubChem CID67316008
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
SMILESCOc1ccc(Cl)cc1-c1cc(C(=O)O)cc(-n2cnnn2)c1
InChIInChI=1S/C15H11ClN4O3/c1-23-14-3-2-11(16)7-13(14)9-4-10(15(21)22)6-12(5-9)20-8-17-18-19-20/h2-8H,1H3,(H,21,22)
InChIKeyFIARZMXLHSOJHY-UHFFFAOYSA-N
XLogP2.69
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid (CID 67316008) is 3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid is COc1ccc(Cl)cc1-c1cc(C(=O)O)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
The InChIKey is FIARZMXLHSOJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c1-23-14-3-2-11(16)7-13(14)9-4-10(15(21)22)6-12(5-9)20-8-17-18-19-20/h2-8H,1H3,(H,21,22).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid?
3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid has a molecular weight of 330.73 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid is sourced from PubChem (CID 67316008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).