5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole

C18H20N4O2 — CID 68826237

IUPAC5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole
SMILESCCOC(Cc1cccc(OCc2ccccc2)c1)c1nn[nH]n1
InChIInChI=1S/C18H20N4O2/c1-2-23-17(18-19-21-22-20-18)12-15-9-6-10-16(11-15)24-13-14-7-4-3-5-8-14/h3-11,17H,2,12-13H2,1H3,(H,19,20,21,22)
InChIKeyLRFQLCGDCVPORN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.10
Rot. Bonds8

About 5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole

5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole (PubChem CID 68826237) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole
PubChem CID68826237
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole
SMILESCCOC(Cc1cccc(OCc2ccccc2)c1)c1nn[nH]n1
InChIInChI=1S/C18H20N4O2/c1-2-23-17(18-19-21-22-20-18)12-15-9-6-10-16(11-15)24-13-14-7-4-3-5-8-14/h3-11,17H,2,12-13H2,1H3,(H,19,20,21,22)
InChIKeyLRFQLCGDCVPORN-UHFFFAOYSA-N
XLogP3.10
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
CID 22345861
1-phenylmethoxy-3-propylbenzene
CID 58977798
(3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide
CID 135789047
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
CID 84752879
2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline
CID 14750519
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene
CID 3847093
2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol
CID 82350302
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064

Frequently Asked Questions

What is the IUPAC name of 5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole?
The IUPAC name of 5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole (CID 68826237) is 5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole?
The canonical SMILES for 5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole is CCOC(Cc1cccc(OCc2ccccc2)c1)c1nn[nH]n1.
What is the InChIKey of 5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole?
The InChIKey is LRFQLCGDCVPORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-23-17(18-19-21-22-20-18)12-15-9-6-10-16(11-15)24-13-14-7-4-3-5-8-14/h3-11,17H,2,12-13H2,1H3,(H,19,20,21,22).
What are the key properties of 5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole?
5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole has a molecular weight of 324.38 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole is sourced from PubChem (CID 68826237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).