5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole

C16H14BrClN4O2 — CID 132592950

IUPAC5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
SMILESCCOc1cc(-c2nn[nH]n2)cc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C16H14BrClN4O2/c1-2-23-14-8-11(16-19-21-22-20-16)7-12(17)15(14)24-9-10-5-3-4-6-13(10)18/h3-8H,2,9H2,1H3,(H,19,20,21,22)
InChIKeyHEJVZIOANRKYBZ-UHFFFAOYSA-N
MW409.67 g/mol
LogP4.26
Rot. Bonds6

About 5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole

5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole (PubChem CID 132592950) has the molecular formula C16H14BrClN4O2 and a molecular weight of 409.67 g/mol. Its IUPAC name is 5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
PubChem CID132592950
Molecular FormulaC16H14BrClN4O2
Molecular Weight409.67 g/mol
Exact Mass408.00
IUPAC Name5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
SMILESCCOc1cc(-c2nn[nH]n2)cc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C16H14BrClN4O2/c1-2-23-14-8-11(16-19-21-22-20-16)7-12(17)15(14)24-9-10-5-3-4-6-13(10)18/h3-8H,2,9H2,1H3,(H,19,20,21,22)
InChIKeyHEJVZIOANRKYBZ-UHFFFAOYSA-N
XLogP4.26
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.67
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzoic acid
CID 8707086
ethyl 3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682296
5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593238
5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride
CID 163327284
5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593120
5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
CID 132592973
5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591898
2-[2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17295117
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]prop-2-en-1-amine
CID 4717931
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-1-amine;hydrochloride
CID 17289443
5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593025
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17289290

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole?
The IUPAC name of 5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole (CID 132592950) is 5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole is CCOc1cc(-c2nn[nH]n2)cc(Br)c1OCc1ccccc1Cl.
What is the InChIKey of 5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole?
The InChIKey is HEJVZIOANRKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN4O2/c1-2-23-14-8-11(16-19-21-22-20-16)7-12(17)15(14)24-9-10-5-3-4-6-13(10)18/h3-8H,2,9H2,1H3,(H,19,20,21,22).
What are the key properties of 5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole?
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole has a molecular weight of 409.67 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole is sourced from PubChem (CID 132592950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).