2-(3-phenylmethoxyphenyl)tetrazole

C14H12N4O — CID 54488600

IUPAC2-(3-phenylmethoxyphenyl)tetrazole
SMILESc1ccc(COc2cccc(-n3ncnn3)c2)cc1
InChIInChI=1S/C14H12N4O/c1-2-5-12(6-3-1)10-19-14-8-4-7-13(9-14)18-16-11-15-17-18/h1-9,11H,10H2
InChIKeyWCOBQMBLYIRCEZ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.24
Rot. Bonds4

About 2-(3-phenylmethoxyphenyl)tetrazole

2-(3-phenylmethoxyphenyl)tetrazole (PubChem CID 54488600) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(3-phenylmethoxyphenyl)tetrazole.

Molecular Properties

Compound Name2-(3-phenylmethoxyphenyl)tetrazole
PubChem CID54488600
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(3-phenylmethoxyphenyl)tetrazole
SMILESc1ccc(COc2cccc(-n3ncnn3)c2)cc1
InChIInChI=1S/C14H12N4O/c1-2-5-12(6-3-1)10-19-14-8-4-7-13(9-14)18-16-11-15-17-18/h1-9,11H,10H2
InChIKeyWCOBQMBLYIRCEZ-UHFFFAOYSA-N
XLogP2.24
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
CID 57452903
CID 57452903
CID 57238609
CID 57238609
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
1-phenylmethoxy-3-propylbenzene
CID 58977798
1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one
CID 134104791
bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene
CID 176656392

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyphenyl)tetrazole?
The IUPAC name of 2-(3-phenylmethoxyphenyl)tetrazole (CID 54488600) is 2-(3-phenylmethoxyphenyl)tetrazole.
What is the SMILES notation for 2-(3-phenylmethoxyphenyl)tetrazole?
The canonical SMILES for 2-(3-phenylmethoxyphenyl)tetrazole is c1ccc(COc2cccc(-n3ncnn3)c2)cc1.
What is the InChIKey of 2-(3-phenylmethoxyphenyl)tetrazole?
The InChIKey is WCOBQMBLYIRCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-5-12(6-3-1)10-19-14-8-4-7-13(9-14)18-16-11-15-17-18/h1-9,11H,10H2.
What are the key properties of 2-(3-phenylmethoxyphenyl)tetrazole?
2-(3-phenylmethoxyphenyl)tetrazole has a molecular weight of 252.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyphenyl)tetrazole is sourced from PubChem (CID 54488600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).