3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid

C14H10N4O2 — CID 53427079

IUPAC3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H10N4O2/c19-14(20)12-7-10(9-4-2-1-3-5-9)6-11(8-12)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)
InChIKeyHWICOMMFQXMIFV-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.23
Rot. Bonds3

About 3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid

3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid (PubChem CID 53427079) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
PubChem CID53427079
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H10N4O2/c19-14(20)12-7-10(9-4-2-1-3-5-9)6-11(8-12)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)
InChIKeyHWICOMMFQXMIFV-UHFFFAOYSA-N
XLogP2.23
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(hydroxymethyl)phenyl]-5-(2H-tetrazol-5-yl)benzoic acid
CID 68731287
3-(2H-tetrazol-5-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68731011
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
3,5-diamino-4-(2H-tetrazol-5-yl)benzoic acid
CID 121474244
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
CID 58782177
CID 58782177
2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 61021113
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
CID 151002754

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid?
The IUPAC name of 3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid (CID 53427079) is 3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid.
What is the SMILES notation for 3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid?
The canonical SMILES for 3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid is O=C(O)c1cc(-c2ccccc2)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid?
The InChIKey is HWICOMMFQXMIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-14(20)12-7-10(9-4-2-1-3-5-9)6-11(8-12)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18).
What are the key properties of 3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid?
3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid has a molecular weight of 266.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid is sourced from PubChem (CID 53427079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).