2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol

C9H9ClN4O — CID 15187914

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H9ClN4O/c10-8-3-1-7(2-4-8)9-11-13-14(12-9)5-6-15/h1-4,15H,5-6H2
InChIKeyIHOMCLNYBYFARY-UHFFFAOYSA-N
MW224.65 g/mol
LogP0.99
Rot. Bonds3

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol

2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol (PubChem CID 15187914) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol
PubChem CID15187914
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H9ClN4O/c10-8-3-1-7(2-4-8)9-11-13-14(12-9)5-6-15/h1-4,15H,5-6H2
InChIKeyIHOMCLNYBYFARY-UHFFFAOYSA-N
XLogP0.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol (CID 15187914) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol is OCCn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol?
The InChIKey is IHOMCLNYBYFARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c10-8-3-1-7(2-4-8)9-11-13-14(12-9)5-6-15/h1-4,15H,5-6H2.
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol?
2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol has a molecular weight of 224.65 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanol is sourced from PubChem (CID 15187914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).