2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole

C17H18N4O — CID 68649972

IUPAC2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole
SMILESCCn1nnc(Cc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C17H18N4O/c1-2-21-19-17(18-20-21)12-14-8-10-16(11-9-14)22-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKeyFGZNCTHPUUKGMB-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.86
Rot. Bonds6

About 2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole

2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole (PubChem CID 68649972) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole
PubChem CID68649972
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole
SMILESCCn1nnc(Cc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C17H18N4O/c1-2-21-19-17(18-20-21)12-14-8-10-16(11-9-14)22-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKeyFGZNCTHPUUKGMB-UHFFFAOYSA-N
XLogP2.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
1-ethyl-N-[(4-phenylmethoxyphenyl)methyl]tetrazol-5-amine
CID 4727455
2-[(4-phenylmethoxyphenyl)methyl]-1,3,4-oxadiazole
CID 141123702
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
CID 746025
2-[5-[(4-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820083
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 89197006
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole?
The IUPAC name of 2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole (CID 68649972) is 2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole?
The canonical SMILES for 2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole is CCn1nnc(Cc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole?
The InChIKey is FGZNCTHPUUKGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-21-19-17(18-20-21)12-14-8-10-16(11-9-14)22-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3.
What are the key properties of 2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole?
2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole has a molecular weight of 294.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 68649972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).