5-(2,5-dimethylphenoxy)-1-phenyltetrazole

C15H14N4O — CID 2099429

IUPAC5-(2,5-dimethylphenoxy)-1-phenyltetrazole
SMILESCc1ccc(C)c(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C15H14N4O/c1-11-8-9-12(2)14(10-11)20-15-16-17-18-19(15)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyCPMQMVOMUYUGTG-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.07
Rot. Bonds3

About 5-(2,5-dimethylphenoxy)-1-phenyltetrazole

5-(2,5-dimethylphenoxy)-1-phenyltetrazole (PubChem CID 2099429) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-1-phenyltetrazole
PubChem CID2099429
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-(2,5-dimethylphenoxy)-1-phenyltetrazole
SMILESCc1ccc(C)c(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C15H14N4O/c1-11-8-9-12(2)14(10-11)20-15-16-17-18-19(15)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyCPMQMVOMUYUGTG-UHFFFAOYSA-N
XLogP3.07
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methoxyphenoxy)-1-phenyltetrazole
CID 839324
1-(4-methoxyphenyl)-5-phenyl-1H-tetrazole
CID 759777
5-(4-Fluorophenoxy)-1-phenyltetrazole
CID 713745
5-(3-Methoxy-phenyl)-1-(4-methoxy-phenyl)-1H-tetrazole
CID 649149
5-(2-isopropyl-5-methylphenoxy)-1-phenyl-1H-tetrazole
CID 1252027
N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 2440731
5-[(4-Methoxyphenyl)methylsulfanyl]-1-phenyltetrazole
CID 773480
5-(4-chloro-3-methylphenoxy)-1-phenyl-1H-tetrazole
CID 934673
1-Phenyl-5-phenoxy-1H-tetrazole
CID 4012347
5-[(3-Methoxyphenyl)methylsulfonyl]-1-phenyltetrazole
CID 9548435
1-Phenyl-5-[3-(trifluoromethyl)phenoxy]tetrazole
CID 4880060
5-(2-Bromo-4-methylphenoxy)-1-phenyltetrazole
CID 28602481

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(2,5-dimethylphenoxy)-1-phenyltetrazole (CID 2099429) is 5-(2,5-dimethylphenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-1-phenyltetrazole is Cc1ccc(C)c(Oc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-1-phenyltetrazole?
The InChIKey is CPMQMVOMUYUGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-8-9-12(2)14(10-11)20-15-16-17-18-19(15)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 5-(2,5-dimethylphenoxy)-1-phenyltetrazole?
5-(2,5-dimethylphenoxy)-1-phenyltetrazole has a molecular weight of 266.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-1-phenyltetrazole is sourced from PubChem (CID 2099429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).