1-(3-chloro-4-phenoxyphenyl)tetrazole

C13H9ClN4O — CID 16765570

IUPAC1-(3-chloro-4-phenoxyphenyl)tetrazole
SMILESClc1cc(-n2cnnn2)ccc1Oc1ccccc1
InChIInChI=1S/C13H9ClN4O/c14-12-8-10(18-9-15-16-17-18)6-7-13(12)19-11-4-2-1-3-5-11/h1-9H
InChIKeyZWMOVHPLWLOHDQ-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.11
Rot. Bonds3

About 1-(3-chloro-4-phenoxyphenyl)tetrazole

1-(3-chloro-4-phenoxyphenyl)tetrazole (PubChem CID 16765570) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 1-(3-chloro-4-phenoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(3-chloro-4-phenoxyphenyl)tetrazole
PubChem CID16765570
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name1-(3-chloro-4-phenoxyphenyl)tetrazole
SMILESClc1cc(-n2cnnn2)ccc1Oc1ccccc1
InChIInChI=1S/C13H9ClN4O/c14-12-8-10(18-9-15-16-17-18)6-7-13(12)19-11-4-2-1-3-5-11/h1-9H
InChIKeyZWMOVHPLWLOHDQ-UHFFFAOYSA-N
XLogP3.11
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenoxy)-1-phenyl-1H-tetrazole
CID 718858
N,N-dimethyl-1-(4-phenoxyphenyl)-1H-1,2,3,4-tetraazol-5-amine
CID 1482504
1-(4-phenoxyphenyl)-1H-tetraazole
CID 781454
1-(5-chloro-2-methoxyphenyl)-1H-tetrazole
CID 856074
1-[4-[2-(4-Fluorophenoxy)ethoxy]phenyl]tetrazole
CID 40191444
1-(3-chlorophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine
CID 162649135
N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine
CID 162652698
1-(4-ethoxyphenyl)-1H-tetrazole
CID 753609
1-(4-Phenoxyphenyl)-1,2,4-triazole
CID 18326702
1-[4-[(2-Chloro-4-fluorophenyl)methoxy]phenyl]tetrazole
CID 2437804
2-(2-Chlorophenoxy)-N-[4-(1H-1,2,3,4-tetrazol-1-YL)phenyl]acetamide
CID 7930089
1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyl-1H-tetrazole
CID 16766566

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-phenoxyphenyl)tetrazole?
The IUPAC name of 1-(3-chloro-4-phenoxyphenyl)tetrazole (CID 16765570) is 1-(3-chloro-4-phenoxyphenyl)tetrazole.
What is the SMILES notation for 1-(3-chloro-4-phenoxyphenyl)tetrazole?
The canonical SMILES for 1-(3-chloro-4-phenoxyphenyl)tetrazole is Clc1cc(-n2cnnn2)ccc1Oc1ccccc1.
What is the InChIKey of 1-(3-chloro-4-phenoxyphenyl)tetrazole?
The InChIKey is ZWMOVHPLWLOHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-12-8-10(18-9-15-16-17-18)6-7-13(12)19-11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-(3-chloro-4-phenoxyphenyl)tetrazole?
1-(3-chloro-4-phenoxyphenyl)tetrazole has a molecular weight of 272.70 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-phenoxyphenyl)tetrazole is sourced from PubChem (CID 16765570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).