2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol

C29H26N6O6 — CID 18720520

IUPAC2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol
SMILESCc1cc(OCOCOCOc2cc(C)c(O)c(-n3nc4ccccc4n3)c2)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C29H26N6O6/c1-18-11-20(13-26(28(18)36)34-30-22-7-3-4-8-23(22)31-34)40-16-38-15-39-17-41-21-12-19(2)29(37)27(14-21)35-32-24-9-5-6-10-25(24)33-35/h3-14,36-37H,15-17H2,1-2H3
InChIKeyOTZNYBLTBZGYTF-UHFFFAOYSA-N
MW554.56 g/mol
LogP4.55
Rot. Bonds10

About 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol

2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol (PubChem CID 18720520) has the molecular formula C29H26N6O6 and a molecular weight of 554.56 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol
PubChem CID18720520
Molecular FormulaC29H26N6O6
Molecular Weight554.56 g/mol
Exact Mass554.19
IUPAC Name2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol
SMILESCc1cc(OCOCOCOc2cc(C)c(O)c(-n3nc4ccccc4n3)c2)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C29H26N6O6/c1-18-11-20(13-26(28(18)36)34-30-22-7-3-4-8-23(22)31-34)40-16-38-15-39-17-41-21-12-19(2)29(37)27(14-21)35-32-24-9-5-6-10-25(24)33-35/h3-14,36-37H,15-17H2,1-2H3
InChIKeyOTZNYBLTBZGYTF-UHFFFAOYSA-N
XLogP4.55
TPSA138.80 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzotriazol-2-yl)-4,6-dimethylphenol
CID 90698610
2-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]ethyl 2-methylprop-2-enoate
CID 22723757
3-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]propanoyloxymethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]propanoate;ethanol;2-ethoxyethoxymethanol;propane
CID 90817919
2-(5-iodobenzotriazol-2-yl)-4,6-dimethylphenol
CID 144572646
2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol
CID 148702623
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
2-(benzotriazol-2-yl)-4,6-bis[(4-methoxyphenyl)methyl]phenol
CID 152598863
2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane
CID 54559127
2-(benzotriazol-2-yl)-4-methylphenol;ethane
CID 91212938
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
2-(benzotriazol-2-yl)-6-dodecyl-4-octylphenol
CID 164590225
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(1-hydroxyethyl)phenyl]methyl]-4-(1-hydroxyethyl)phenol
CID 18521144

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol (CID 18720520) is 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol is Cc1cc(OCOCOCOc2cc(C)c(O)c(-n3nc4ccccc4n3)c2)cc(-n2nc3ccccc3n2)c1O.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol?
The InChIKey is OTZNYBLTBZGYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O6/c1-18-11-20(13-26(28(18)36)34-30-22-7-3-4-8-23(22)31-34)40-16-38-15-39-17-41-21-12-19(2)29(37)27(14-21)35-32-24-9-5-6-10-25(24)33-35/h3-14,36-37H,15-17H2,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol?
2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol has a molecular weight of 554.56 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenoxy]methoxymethoxymethoxy]-6-methylphenol is sourced from PubChem (CID 18720520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).