2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol

C10H11BrN4O — CID 71995593

IUPAC2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1Cc1ccc(Br)cc1
InChIInChI=1S/C10H11BrN4O/c11-9-3-1-8(2-4-9)7-10-12-13-14-15(10)5-6-16/h1-4,16H,5-7H2
InChIKeyVSVWUFUTNLUHAS-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.02
Rot. Bonds4

About 2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol

2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol (PubChem CID 71995593) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol
PubChem CID71995593
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1Cc1ccc(Br)cc1
InChIInChI=1S/C10H11BrN4O/c11-9-3-1-8(2-4-9)7-10-12-13-14-15(10)5-6-16/h1-4,16H,5-7H2
InChIKeyVSVWUFUTNLUHAS-UHFFFAOYSA-N
XLogP1.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol (CID 71995593) is 2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol is OCCn1nnnc1Cc1ccc(Br)cc1.
What is the InChIKey of 2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol?
The InChIKey is VSVWUFUTNLUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c11-9-3-1-8(2-4-9)7-10-12-13-14-15(10)5-6-16/h1-4,16H,5-7H2.
What are the key properties of 2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol?
2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol has a molecular weight of 283.13 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]ethanol is sourced from PubChem (CID 71995593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).