1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole

C14H11FN4O — CID 1157293

IUPAC1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
SMILESFc1ccc(COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C14H11FN4O/c15-12-6-4-11(5-7-12)9-20-14-3-1-2-13(8-14)19-10-16-17-18-19/h1-8,10H,9H2
InChIKeyLJPMWGUHRZAFIQ-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.38
Rot. Bonds4

About 1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole

1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole (PubChem CID 1157293) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
PubChem CID1157293
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
SMILESFc1ccc(COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C14H11FN4O/c15-12-6-4-11(5-7-12)9-20-14-3-1-2-13(8-14)19-10-16-17-18-19/h1-8,10H,9H2
InChIKeyLJPMWGUHRZAFIQ-UHFFFAOYSA-N
XLogP2.38
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole
CID 26050435
[3-(tetrazol-1-yl)phenyl] 4-fluorobenzoate
CID 1157241
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55618154
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole
CID 52891595
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
1-(4-fluorophenyl)tetrazole
CID 825628
1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole
CID 7697447
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole?
The IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole (CID 1157293) is 1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole is Fc1ccc(COc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole?
The InChIKey is LJPMWGUHRZAFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-12-6-4-11(5-7-12)9-20-14-3-1-2-13(8-14)19-10-16-17-18-19/h1-8,10H,9H2.
What are the key properties of 1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole?
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole has a molecular weight of 270.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole is sourced from PubChem (CID 1157293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).