5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole

C14H11ClN4O — CID 934673

IUPAC5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole
SMILESCc1cc(Oc2nnnn2-c2ccccc2)ccc1Cl
InChIInChI=1S/C14H11ClN4O/c1-10-9-12(7-8-13(10)15)20-14-16-17-18-19(14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyGNDMEGRIQZBWAC-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.42
Rot. Bonds3

About 5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole

5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole (PubChem CID 934673) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole
PubChem CID934673
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole
SMILESCc1cc(Oc2nnnn2-c2ccccc2)ccc1Cl
InChIInChI=1S/C14H11ClN4O/c1-10-9-12(7-8-13(10)15)20-14-16-17-18-19(14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyGNDMEGRIQZBWAC-UHFFFAOYSA-N
XLogP3.42
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole (CID 934673) is 5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole is Cc1cc(Oc2nnnn2-c2ccccc2)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole?
The InChIKey is GNDMEGRIQZBWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-10-9-12(7-8-13(10)15)20-14-16-17-18-19(14)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole?
5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole has a molecular weight of 286.72 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylphenoxy)-1-phenyltetrazole is sourced from PubChem (CID 934673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).