1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole

C15H13FN4O2 — CID 26050435

IUPAC1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole
SMILESCOc1ccc(F)cc1COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H13FN4O2/c1-21-15-6-5-12(16)7-11(15)9-22-14-4-2-3-13(8-14)20-10-17-18-19-20/h2-8,10H,9H2,1H3
InChIKeyQKCXFXBZORCQPF-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.39
Rot. Bonds5

About 1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole

1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole (PubChem CID 26050435) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole
PubChem CID26050435
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole
SMILESCOc1ccc(F)cc1COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H13FN4O2/c1-21-15-6-5-12(16)7-11(15)9-22-14-4-2-3-13(8-14)20-10-17-18-19-20/h2-8,10H,9H2,1H3
InChIKeyQKCXFXBZORCQPF-UHFFFAOYSA-N
XLogP2.39
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole
CID 52891595
1-[4-[(4-bromo-2,5-dimethoxyphenyl)methoxy]phenyl]tetrazole
CID 8900468
3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 3503454
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
[3-(tetrazol-1-yl)phenyl] 4-fluorobenzoate
CID 1157241
3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 119053119
methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
CID 7705728
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
4-[[3-(tetrazol-1-yl)phenoxy]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 7768759
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole?
The IUPAC name of 1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole (CID 26050435) is 1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole?
The canonical SMILES for 1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole is COc1ccc(F)cc1COc1cccc(-n2cnnn2)c1.
What is the InChIKey of 1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole?
The InChIKey is QKCXFXBZORCQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-21-15-6-5-12(16)7-11(15)9-22-14-4-2-3-13(8-14)20-10-17-18-19-20/h2-8,10H,9H2,1H3.
What are the key properties of 1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole?
1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole has a molecular weight of 300.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole is sourced from PubChem (CID 26050435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).