1-(phenylmethoxymethyl)benzotriazole

C14H13N3O — CID 3697434

IUPAC1-(phenylmethoxymethyl)benzotriazole
SMILESc1ccc(COCn2nnc3ccccc32)cc1
InChIInChI=1S/C14H13N3O/c1-2-6-12(7-3-1)10-18-11-17-14-9-5-4-8-13(14)15-16-17/h1-9H,10-11H2
InChIKeyFWEHRBRTRNWRBZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.61
Rot. Bonds4

About 1-(phenylmethoxymethyl)benzotriazole

1-(phenylmethoxymethyl)benzotriazole (PubChem CID 3697434) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)benzotriazole.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)benzotriazole
PubChem CID3697434
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(phenylmethoxymethyl)benzotriazole
SMILESc1ccc(COCn2nnc3ccccc32)cc1
InChIInChI=1S/C14H13N3O/c1-2-6-12(7-3-1)10-18-11-17-14-9-5-4-8-13(14)15-16-17/h1-9H,10-11H2
InChIKeyFWEHRBRTRNWRBZ-UHFFFAOYSA-N
XLogP2.61
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)benzotriazole?
The IUPAC name of 1-(phenylmethoxymethyl)benzotriazole (CID 3697434) is 1-(phenylmethoxymethyl)benzotriazole.
What is the SMILES notation for 1-(phenylmethoxymethyl)benzotriazole?
The canonical SMILES for 1-(phenylmethoxymethyl)benzotriazole is c1ccc(COCn2nnc3ccccc32)cc1.
What is the InChIKey of 1-(phenylmethoxymethyl)benzotriazole?
The InChIKey is FWEHRBRTRNWRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-6-12(7-3-1)10-18-11-17-14-9-5-4-8-13(14)15-16-17/h1-9H,10-11H2.
What are the key properties of 1-(phenylmethoxymethyl)benzotriazole?
1-(phenylmethoxymethyl)benzotriazole has a molecular weight of 239.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)benzotriazole is sourced from PubChem (CID 3697434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).