ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate

C18H18N4O3 — CID 67051161

IUPACethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate
SMILESCCOC(=O)c1cc(OCc2ccccc2)ccc1-n1nnnc1C
InChIInChI=1S/C18H18N4O3/c1-3-24-18(23)16-11-15(25-12-14-7-5-4-6-8-14)9-10-17(16)22-13(2)19-20-21-22/h4-11H,3,12H2,1-2H3
InChIKeyUOPSLVYZSJTTFX-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.73
Rot. Bonds6

About ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate

ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate (PubChem CID 67051161) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate.

Molecular Properties

Compound Nameethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate
PubChem CID67051161
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Nameethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate
SMILESCCOC(=O)c1cc(OCc2ccccc2)ccc1-n1nnnc1C
InChIInChI=1S/C18H18N4O3/c1-3-24-18(23)16-11-15(25-12-14-7-5-4-6-8-14)9-10-17(16)22-13(2)19-20-21-22/h4-11H,3,12H2,1-2H3
InChIKeyUOPSLVYZSJTTFX-UHFFFAOYSA-N
XLogP2.73
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-acetyloxy-2-(5-methyltetrazol-1-yl)benzoate
CID 67051123
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
ethyl 2-acetyl-3-chloro-5-phenylmethoxybenzoate
CID 91863418
ethyl 6-bromo-4-phenylmethoxypyridine-3-carboxylate
CID 59477910
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethane;4-phenylmethoxyphthalic acid
CID 90802135
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
ethyl 4-hydroxy-2-(2-methylpropyl)-1-oxo-7-phenylmethoxyisoquinoline-3-carboxylate
CID 54725281

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate?
The IUPAC name of ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate (CID 67051161) is ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate.
What is the SMILES notation for ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate?
The canonical SMILES for ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate is CCOC(=O)c1cc(OCc2ccccc2)ccc1-n1nnnc1C.
What is the InChIKey of ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate?
The InChIKey is UOPSLVYZSJTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-3-24-18(23)16-11-15(25-12-14-7-5-4-6-8-14)9-10-17(16)22-13(2)19-20-21-22/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate?
ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate has a molecular weight of 338.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate is sourced from PubChem (CID 67051161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).