(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol

C9H9ClN4O — CID 67120090

IUPAC(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol
SMILESO[C@@H](Cn1ncnn1)c1ccccc1Cl
InChIInChI=1S/C9H9ClN4O/c10-8-4-2-1-3-7(8)9(15)5-14-12-6-11-13-14/h1-4,6,9,15H,5H2/t9-/m0/s1
InChIKeyHMTCTAFOMZTQMS-VIFPVBQESA-N
MW224.65 g/mol
LogP1.06
Rot. Bonds3

About (1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol

(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol (PubChem CID 67120090) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol
PubChem CID67120090
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol
SMILESO[C@@H](Cn1ncnn1)c1ccccc1Cl
InChIInChI=1S/C9H9ClN4O/c10-8-4-2-1-3-7(8)9(15)5-14-12-6-11-13-14/h1-4,6,9,15H,5H2/t9-/m0/s1
InChIKeyHMTCTAFOMZTQMS-VIFPVBQESA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol?
The IUPAC name of (1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol (CID 67120090) is (1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol is O[C@@H](Cn1ncnn1)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol?
The InChIKey is HMTCTAFOMZTQMS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9ClN4O/c10-8-4-2-1-3-7(8)9(15)5-14-12-6-11-13-14/h1-4,6,9,15H,5H2/t9-/m0/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol?
(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol has a molecular weight of 224.65 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethanol is sourced from PubChem (CID 67120090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).