2-[3-(2-chlorophenoxy)propyl]tetrazole

C10H11ClN4O — CID 91366499

IUPAC2-[3-(2-chlorophenoxy)propyl]tetrazole
SMILESClc1ccccc1OCCCn1ncnn1
InChIInChI=1S/C10H11ClN4O/c11-9-4-1-2-5-10(9)16-7-3-6-15-13-8-12-14-15/h1-2,4-5,8H,3,6-7H2
InChIKeyXSAHKVDHBFXRPG-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.80
Rot. Bonds5

About 2-[3-(2-chlorophenoxy)propyl]tetrazole

2-[3-(2-chlorophenoxy)propyl]tetrazole (PubChem CID 91366499) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 2-[3-(2-chlorophenoxy)propyl]tetrazole.

Molecular Properties

Compound Name2-[3-(2-chlorophenoxy)propyl]tetrazole
PubChem CID91366499
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name2-[3-(2-chlorophenoxy)propyl]tetrazole
SMILESClc1ccccc1OCCCn1ncnn1
InChIInChI=1S/C10H11ClN4O/c11-9-4-1-2-5-10(9)16-7-3-6-15-13-8-12-14-15/h1-2,4-5,8H,3,6-7H2
InChIKeyXSAHKVDHBFXRPG-UHFFFAOYSA-N
XLogP1.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenoxy)propyl]tetrazole?
The IUPAC name of 2-[3-(2-chlorophenoxy)propyl]tetrazole (CID 91366499) is 2-[3-(2-chlorophenoxy)propyl]tetrazole.
What is the SMILES notation for 2-[3-(2-chlorophenoxy)propyl]tetrazole?
The canonical SMILES for 2-[3-(2-chlorophenoxy)propyl]tetrazole is Clc1ccccc1OCCCn1ncnn1.
What is the InChIKey of 2-[3-(2-chlorophenoxy)propyl]tetrazole?
The InChIKey is XSAHKVDHBFXRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c11-9-4-1-2-5-10(9)16-7-3-6-15-13-8-12-14-15/h1-2,4-5,8H,3,6-7H2.
What are the key properties of 2-[3-(2-chlorophenoxy)propyl]tetrazole?
2-[3-(2-chlorophenoxy)propyl]tetrazole has a molecular weight of 238.68 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenoxy)propyl]tetrazole is sourced from PubChem (CID 91366499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).