2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol

C22H28ClN3O — CID 150200009

IUPAC2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(-c2ccc3n[nH]nc3c2Cl)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C22H28ClN3O/c1-7-21(3,4)13-11-15(20(27)16(12-13)22(5,6)8-2)14-9-10-17-19(18(14)23)25-26-24-17/h9-12,27H,7-8H2,1-6H3,(H,24,25,26)
InChIKeyFPGOLCQAXYFJOO-UHFFFAOYSA-N
MW385.94 g/mol
LogP6.36
Rot. Bonds5

About 2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol

2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol (PubChem CID 150200009) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol
PubChem CID150200009
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(-c2ccc3n[nH]nc3c2Cl)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C22H28ClN3O/c1-7-21(3,4)13-11-15(20(27)16(12-13)22(5,6)8-2)14-9-10-17-19(18(14)23)25-26-24-17/h9-12,27H,7-8H2,1-6H3,(H,24,25,26)
InChIKeyFPGOLCQAXYFJOO-UHFFFAOYSA-N
XLogP6.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2H-benzotriazole;2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol
CID 87700797
[2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone
CID 22321239
bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol);zirconium
CID 87129662
2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
CID 23002700
2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol
CID 21199802
2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol
CID 139721810
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158345963
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol
CID 157340396
4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol
CID 18401178
3-(2H-benzotriazol-4-yl)-2-[[2-(2H-benzotriazol-4-yl)-6-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenol
CID 89439561
1,1-bis[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]ethyl prop-2-enoate
CID 57052760

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol (CID 150200009) is 2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(-c2ccc3n[nH]nc3c2Cl)c(O)c(C(C)(C)CC)c1.
What is the InChIKey of 2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol?
The InChIKey is FPGOLCQAXYFJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-7-21(3,4)13-11-15(20(27)16(12-13)22(5,6)8-2)14-9-10-17-19(18(14)23)25-26-24-17/h9-12,27H,7-8H2,1-6H3,(H,24,25,26).
What are the key properties of 2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol?
2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol has a molecular weight of 385.94 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 150200009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).