5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole

C15H14N4O — CID 718990

IUPAC5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
SMILESCc1ccccc1COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H14N4O/c1-11-4-2-3-5-13(11)10-20-14-8-6-12(7-9-14)15-16-18-19-17-15/h2-9H,10H2,1H3,(H,16,17,18,19)
InChIKeyGJASITBRPZLFHK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.75
Rot. Bonds4

About 5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole

5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole (PubChem CID 718990) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
PubChem CID718990
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
SMILESCc1ccccc1COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H14N4O/c1-11-4-2-3-5-13(11)10-20-14-8-6-12(7-9-14)15-16-18-19-17-15/h2-9H,10H2,1H3,(H,16,17,18,19)
InChIKeyGJASITBRPZLFHK-UHFFFAOYSA-N
XLogP2.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methoxyphenyl)-2H-tetrazole
CID 307902
2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
5-(4-Methoxy-benzyl)-2H-tetrazole
CID 793264
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
2-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
5-(4-propoxybenzyl)-2H-tetrazole
CID 657685
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
(E)-2-[[4-(2-ethyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512243
(Z)-2-[[4-(2-ethyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369018
5-(3-methoxyphenyl)-1H-1,2,3,4-tetrazole
CID 3498447

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole (CID 718990) is 5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole is Cc1ccccc1COc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The InChIKey is GJASITBRPZLFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-4-2-3-5-13(11)10-20-14-8-6-12(7-9-14)15-16-18-19-17-15/h2-9H,10H2,1H3,(H,16,17,18,19).
What are the key properties of 5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole has a molecular weight of 266.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 718990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).