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

C15H14N4O2 — CID 7697554

IUPAC1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole
SMILESCOc1cccc(COc2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C15H14N4O2/c1-20-15-4-2-3-12(9-15)10-21-14-7-5-13(6-8-14)19-11-16-17-18-19/h2-9,11H,10H2,1H3
InChIKeyUABAGOAFCINAJO-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.25
Rot. Bonds5

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

1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole (PubChem CID 7697554) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole
PubChem CID7697554
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole
SMILESCOc1cccc(COc2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C15H14N4O2/c1-20-15-4-2-3-12(9-15)10-21-14-7-5-13(6-8-14)19-11-16-17-18-19/h2-9,11H,10H2,1H3
InChIKeyUABAGOAFCINAJO-UHFFFAOYSA-N
XLogP2.25
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole?
The IUPAC name of 1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole (CID 7697554) is 1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole?
The canonical SMILES for 1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole is COc1cccc(COc2ccc(-n3cnnn3)cc2)c1.
What is the InChIKey of 1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole?
The InChIKey is UABAGOAFCINAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-15-4-2-3-12(9-15)10-21-14-7-5-13(6-8-14)19-11-16-17-18-19/h2-9,11H,10H2,1H3.
What are the key properties of 1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole?
1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole has a molecular weight of 282.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazole is sourced from PubChem (CID 7697554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).