2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole

C17H17ClN4O2 — CID 19798533

IUPAC2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole
SMILESCCOc1cc(-c2nnn(Cc3ccc(Cl)cc3)n2)ccc1OC
InChIInChI=1S/C17H17ClN4O2/c1-3-24-16-10-13(6-9-15(16)23-2)17-19-21-22(20-17)11-12-4-7-14(18)8-5-12/h4-10H,3,11H2,1-2H3
InChIKeyACGVOWRUXHYOHL-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.45
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole

2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole (PubChem CID 19798533) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole
PubChem CID19798533
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole
SMILESCCOc1cc(-c2nnn(Cc3ccc(Cl)cc3)n2)ccc1OC
InChIInChI=1S/C17H17ClN4O2/c1-3-24-16-10-13(6-9-15(16)23-2)17-19-21-22(20-17)11-12-4-7-14(18)8-5-12/h4-10H,3,11H2,1-2H3
InChIKeyACGVOWRUXHYOHL-UHFFFAOYSA-N
XLogP3.45
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
3-[(4-chlorophenyl)methyl]-6-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one
CID 27375738
3-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 119053622
5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole
CID 84595829
4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine
CID 649087
5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole
CID 7467433
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7630474
2-[(2-bromo-4-fluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)tetrazole
CID 55499439
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 1448588

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole (CID 19798533) is 2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole is CCOc1cc(-c2nnn(Cc3ccc(Cl)cc3)n2)ccc1OC.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole?
The InChIKey is ACGVOWRUXHYOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-3-24-16-10-13(6-9-15(16)23-2)17-19-21-22(20-17)11-12-4-7-14(18)8-5-12/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole?
2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole has a molecular weight of 344.80 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole is sourced from PubChem (CID 19798533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).