methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate

C21H16N4O3 — CID 22296984

IUPACmethyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate
SMILESCOC(=O)c1cc(Oc2nnnn2-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C21H16N4O3/c1-27-20(26)19-14-17(12-13-18(19)15-8-4-2-5-9-15)28-21-22-23-24-25(21)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyLAUALLDHJNKJOZ-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.91
Rot. Bonds5

About methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate

methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate (PubChem CID 22296984) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate
PubChem CID22296984
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Namemethyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate
SMILESCOC(=O)c1cc(Oc2nnnn2-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C21H16N4O3/c1-27-20(26)19-14-17(12-13-18(19)15-8-4-2-5-9-15)28-21-22-23-24-25(21)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyLAUALLDHJNKJOZ-UHFFFAOYSA-N
XLogP3.91
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 4-(1-phenyltetrazol-5-yl)oxybenzene-1,3-dicarboxylate
CID 4969452
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole
CID 8565211
ethyl 4-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]benzoate
CID 66539015
2-chloro-4-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]benzoic acid
CID 66538790
5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole
CID 107724421
4-[[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]methyl]benzoic acid
CID 17206285
5-(3-nitrophenoxy)-1-phenyltetrazole
CID 2833287
2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 52991851
2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol
CID 17206251
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid
CID 66527838

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate?
The IUPAC name of methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate (CID 22296984) is methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate.
What is the SMILES notation for methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate?
The canonical SMILES for methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate is COC(=O)c1cc(Oc2nnnn2-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate?
The InChIKey is LAUALLDHJNKJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-27-20(26)19-14-17(12-13-18(19)15-8-4-2-5-9-15)28-21-22-23-24-25(21)16-10-6-3-7-11-16/h2-14H,1H3.
What are the key properties of methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate?
methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate has a molecular weight of 372.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate is sourced from PubChem (CID 22296984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).