6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole

C17H12ClN3O — CID 7919256

IUPAC6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole
SMILESClc1ccc2nnn(OCc3cccc4ccccc34)c2c1
InChIInChI=1S/C17H12ClN3O/c18-14-8-9-16-17(10-14)21(20-19-16)22-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2
InChIKeyIPZMWSBQNAYPPH-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.87
Rot. Bonds3

About 6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole

6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole (PubChem CID 7919256) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole.

Molecular Properties

Compound Name6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole
PubChem CID7919256
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole
SMILESClc1ccc2nnn(OCc3cccc4ccccc34)c2c1
InChIInChI=1S/C17H12ClN3O/c18-14-8-9-16-17(10-14)21(20-19-16)22-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2
InChIKeyIPZMWSBQNAYPPH-UHFFFAOYSA-N
XLogP3.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole?
The IUPAC name of 6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole (CID 7919256) is 6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole.
What is the SMILES notation for 6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole?
The canonical SMILES for 6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole is Clc1ccc2nnn(OCc3cccc4ccccc34)c2c1.
What is the InChIKey of 6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole?
The InChIKey is IPZMWSBQNAYPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c18-14-8-9-16-17(10-14)21(20-19-16)22-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2.
What are the key properties of 6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole?
6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole has a molecular weight of 309.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole is sourced from PubChem (CID 7919256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).