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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Related Compounds

ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 56858702
3-(4-methoxy-2-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316601
3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25252656
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(2-methoxyphenyl)-5-(tetrazol-1-yl)phenyl]methanone
CID 42482154
N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 42421765
3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25255134
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118759932
N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 25327818

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).