2-(4-butoxynaphthalen-1-yl)benzotriazole

C20H19N3O — CID 59307512

IUPAC2-(4-butoxynaphthalen-1-yl)benzotriazole
SMILESCCCCOc1ccc(-n2nc3ccccc3n2)c2ccccc12
InChIInChI=1S/C20H19N3O/c1-2-3-14-24-20-13-12-19(15-8-4-5-9-16(15)20)23-21-17-10-6-7-11-18(17)22-23/h4-13H,2-3,14H2,1H3
InChIKeyWLTYQHDOADEEPV-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.75
Rot. Bonds5

About 2-(4-butoxynaphthalen-1-yl)benzotriazole

2-(4-butoxynaphthalen-1-yl)benzotriazole (PubChem CID 59307512) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-butoxynaphthalen-1-yl)benzotriazole.

Molecular Properties

Compound Name2-(4-butoxynaphthalen-1-yl)benzotriazole
PubChem CID59307512
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(4-butoxynaphthalen-1-yl)benzotriazole
SMILESCCCCOc1ccc(-n2nc3ccccc3n2)c2ccccc12
InChIInChI=1S/C20H19N3O/c1-2-3-14-24-20-13-12-19(15-8-4-5-9-16(15)20)23-21-17-10-6-7-11-18(17)22-23/h4-13H,2-3,14H2,1H3
InChIKeyWLTYQHDOADEEPV-UHFFFAOYSA-N
XLogP4.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-dibutoxynaphthalene
CID 22016411
2-(5-methyl-2-tridecoxyphenyl)benzotriazole
CID 59946740
1,4-didodecoxynaphthalene
CID 21304164
2-(benzotriazol-2-yl)-4-[[5-(benzotriazol-2-yl)-4-hydroxy-2-octoxyphenyl]methyl]-5-octoxyphenol
CID 151018306
2-[3-butoxy-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazole
CID 135185378
[4-(benzotriazol-2-yl)-3-hydroxy-2-octoxyphenyl] 2-methylprop-2-enoate
CID 145007464
1-butoxynaphthalene
CID 13262700
4-butoxy-2-(chloromethyl)quinoline
CID 63375315
5-butoxynaphthalen-1-amine
CID 67167958
9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole
CID 118429570
2-[2-(2-bromoethoxy)phenyl]benzotriazole
CID 149338727
4-butoxynaphthalene-1-sulfonamide
CID 43342503

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxynaphthalen-1-yl)benzotriazole?
The IUPAC name of 2-(4-butoxynaphthalen-1-yl)benzotriazole (CID 59307512) is 2-(4-butoxynaphthalen-1-yl)benzotriazole.
What is the SMILES notation for 2-(4-butoxynaphthalen-1-yl)benzotriazole?
The canonical SMILES for 2-(4-butoxynaphthalen-1-yl)benzotriazole is CCCCOc1ccc(-n2nc3ccccc3n2)c2ccccc12.
What is the InChIKey of 2-(4-butoxynaphthalen-1-yl)benzotriazole?
The InChIKey is WLTYQHDOADEEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-3-14-24-20-13-12-19(15-8-4-5-9-16(15)20)23-21-17-10-6-7-11-18(17)22-23/h4-13H,2-3,14H2,1H3.
What are the key properties of 2-(4-butoxynaphthalen-1-yl)benzotriazole?
2-(4-butoxynaphthalen-1-yl)benzotriazole has a molecular weight of 317.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxynaphthalen-1-yl)benzotriazole is sourced from PubChem (CID 59307512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).