5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole

C11H13BrN4O — CID 23540974

IUPAC5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole
SMILESCC(C)COc1ccc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C11H13BrN4O/c1-7(2)6-17-10-4-3-8(5-9(10)12)11-13-15-16-14-11/h3-5,7H,6H2,1-2H3,(H,13,14,15,16)
InChIKeyXDPVUZWFRPTXFD-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.66
Rot. Bonds4

About 5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole

5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole (PubChem CID 23540974) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole
PubChem CID23540974
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole
SMILESCC(C)COc1ccc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C11H13BrN4O/c1-7(2)6-17-10-4-3-8(5-9(10)12)11-13-15-16-14-11/h3-5,7H,6H2,1-2H3,(H,13,14,15,16)
InChIKeyXDPVUZWFRPTXFD-UHFFFAOYSA-N
XLogP2.66
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593238
5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593233
2-bromo-4-(2H-tetrazol-5-yl)phenol
CID 135859940
2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline
CID 131303852
2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene
CID 176513448
2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide
CID 54850454
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
2,6-dibromo-4-(2H-tetrazol-5-yl)phenol
CID 137032179
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline
CID 170001506
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole (CID 23540974) is 5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole is CC(C)COc1ccc(-c2nn[nH]n2)cc1Br.
What is the InChIKey of 5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole?
The InChIKey is XDPVUZWFRPTXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-7(2)6-17-10-4-3-8(5-9(10)12)11-13-15-16-14-11/h3-5,7H,6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole?
5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole has a molecular weight of 297.16 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole is sourced from PubChem (CID 23540974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).