2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole

C19H21N3O — CID 139659499

IUPAC2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole
SMILESCc1cc(-n2nc3ccccc3n2)ccc1OC1CCCCC1
InChIInChI=1S/C19H21N3O/c1-14-13-15(22-20-17-9-5-6-10-18(17)21-22)11-12-19(14)23-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3
InChIKeyFNVFRKXDBXNJQB-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.44
Rot. Bonds3

About 2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole

2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole (PubChem CID 139659499) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole.

Molecular Properties

Compound Name2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole
PubChem CID139659499
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole
SMILESCc1cc(-n2nc3ccccc3n2)ccc1OC1CCCCC1
InChIInChI=1S/C19H21N3O/c1-14-13-15(22-20-17-9-5-6-10-18(17)21-22)11-12-19(14)23-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3
InChIKeyFNVFRKXDBXNJQB-UHFFFAOYSA-N
XLogP4.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole?
The IUPAC name of 2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole (CID 139659499) is 2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole.
What is the SMILES notation for 2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole?
The canonical SMILES for 2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole is Cc1cc(-n2nc3ccccc3n2)ccc1OC1CCCCC1.
What is the InChIKey of 2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole?
The InChIKey is FNVFRKXDBXNJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-13-15(22-20-17-9-5-6-10-18(17)21-22)11-12-19(14)23-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3.
What are the key properties of 2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole?
2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole has a molecular weight of 307.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyloxy-3-methylphenyl)benzotriazole is sourced from PubChem (CID 139659499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).