5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole

C19H22N4O2 — CID 122185431

IUPAC5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole
SMILESCCOC(Cc1nn[nH]n1)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C19H22N4O2/c1-3-24-18(12-19-20-22-23-21-19)15-8-10-17(11-9-15)25-13-16-7-5-4-6-14(16)2/h4-11,18H,3,12-13H2,1-2H3,(H,20,21,22,23)
InChIKeyRULURJHQMAHGKS-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.41
Rot. Bonds8

About 5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole

5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole (PubChem CID 122185431) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole
PubChem CID122185431
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole
SMILESCCOC(Cc1nn[nH]n1)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C19H22N4O2/c1-3-24-18(12-19-20-22-23-21-19)15-8-10-17(11-9-15)25-13-16-7-5-4-6-14(16)2/h4-11,18H,3,12-13H2,1-2H3,(H,20,21,22,23)
InChIKeyRULURJHQMAHGKS-UHFFFAOYSA-N
XLogP3.41
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole (CID 122185431) is 5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole is CCOC(Cc1nn[nH]n1)c1ccc(OCc2ccccc2C)cc1.
What is the InChIKey of 5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole?
The InChIKey is RULURJHQMAHGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-24-18(12-19-20-22-23-21-19)15-8-10-17(11-9-15)25-13-16-7-5-4-6-14(16)2/h4-11,18H,3,12-13H2,1-2H3,(H,20,21,22,23).
What are the key properties of 5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole?
5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole has a molecular weight of 338.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole is sourced from PubChem (CID 122185431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).