5-[phenoxy(phenyl)methyl]-2H-tetrazole

C14H12N4O — CID 19975916

IUPAC5-[phenoxy(phenyl)methyl]-2H-tetrazole
SMILESc1ccc(OC(c2ccccc2)c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N4O/c1-3-7-11(8-4-1)13(14-15-17-18-16-14)19-12-9-5-2-6-10-12/h1-10,13H,(H,15,16,17,18)
InChIKeyLZGYMSIAYSBGBD-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.37
Rot. Bonds4

About 5-[phenoxy(phenyl)methyl]-2H-tetrazole

5-[phenoxy(phenyl)methyl]-2H-tetrazole (PubChem CID 19975916) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-[phenoxy(phenyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[phenoxy(phenyl)methyl]-2H-tetrazole
PubChem CID19975916
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-[phenoxy(phenyl)methyl]-2H-tetrazole
SMILESc1ccc(OC(c2ccccc2)c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N4O/c1-3-7-11(8-4-1)13(14-15-17-18-16-14)19-12-9-5-2-6-10-12/h1-10,13H,(H,15,16,17,18)
InChIKeyLZGYMSIAYSBGBD-UHFFFAOYSA-N
XLogP2.37
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole
CID 123240955
2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
CID 54210664
2-phenoxy-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60929573
(1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol
CID 130427905
3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127283
5-[bis(4-chlorophenoxy)methyl]-2H-tetrazole
CID 125486112
4-[phenoxy(phenyl)methyl]phenol
CID 174712499
[(4-bromophenyl)-(2H-tetrazol-5-yl)methyl] formate
CID 91141792
ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole
CID 178128816
benzhydryl 2-(2H-tetrazol-5-ylsulfanyl)acetate
CID 88677143
[(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate
CID 91472703
5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole
CID 177188975

Frequently Asked Questions

What is the IUPAC name of 5-[phenoxy(phenyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[phenoxy(phenyl)methyl]-2H-tetrazole (CID 19975916) is 5-[phenoxy(phenyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[phenoxy(phenyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[phenoxy(phenyl)methyl]-2H-tetrazole is c1ccc(OC(c2ccccc2)c2nn[nH]n2)cc1.
What is the InChIKey of 5-[phenoxy(phenyl)methyl]-2H-tetrazole?
The InChIKey is LZGYMSIAYSBGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-3-7-11(8-4-1)13(14-15-17-18-16-14)19-12-9-5-2-6-10-12/h1-10,13H,(H,15,16,17,18).
What are the key properties of 5-[phenoxy(phenyl)methyl]-2H-tetrazole?
5-[phenoxy(phenyl)methyl]-2H-tetrazole has a molecular weight of 252.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[phenoxy(phenyl)methyl]-2H-tetrazole is sourced from PubChem (CID 19975916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).