5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole

C14H11ClN4O — CID 3142137

IUPAC5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole
SMILESClc1ccc(OCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H11ClN4O/c15-11-6-8-13(9-7-11)20-10-14-16-17-18-19(14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyVLKZPYGDUBSOJS-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.89
Rot. Bonds4

About 5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole

5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole (PubChem CID 3142137) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole
PubChem CID3142137
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole
SMILESClc1ccc(OCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H11ClN4O/c15-11-6-8-13(9-7-11)20-10-14-16-17-18-19(14)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyVLKZPYGDUBSOJS-UHFFFAOYSA-N
XLogP2.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Bromophenoxy)methyl]-1-phenyltetrazole
CID 2947701
5-(4-chlorophenoxy)-1-phenyl-1H-tetrazole
CID 718858
5-(Phenoxymethyl)-1-phenyltetrazole
CID 2969379
5-(4-Methoxy-phenoxymethyl)-1-phenyl-1H-tetrazole
CID 3142138
5-[(4-methylphenoxy)methyl]-1-phenyl-1H-tetrazole
CID 2947414
1-[(5-Butylthio-4-phenyl(1,2,4-triazol-3-yl))methoxy]-4-chlorobenzene
CID 1735471
1-[2-(4-fluorophenoxy)phenyl]-5-methyl-1H-tetrazole
CID 16766565
1-[3-chloro-4-(2-chlorophenoxy)phenyl]-5-methyl-1H-tetrazole
CID 16766566
5-(Phenoxymethyl)-1-phenyl-1,2,4-triazol-3-amine
CID 24178148
2-(4-chlorophenoxy)-1-(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)ethanone
CID 30857907
2-(4-chlorophenoxy)-1-(4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)ethanone
CID 30858242
1-(2-Propoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 23117979

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole (CID 3142137) is 5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole is Clc1ccc(OCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole?
The InChIKey is VLKZPYGDUBSOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-11-6-8-13(9-7-11)20-10-14-16-17-18-19(14)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole?
5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole has a molecular weight of 286.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-1-phenyltetrazole is sourced from PubChem (CID 3142137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).