3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one

C22H27N3O2 — CID 155928241

IUPAC3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one
SMILESCCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C(C)=O)c1
InChIInChI=1S/C22H27N3O2/c1-7-21(3,4)15-12-16(22(5,6)14(2)26)20(27)19(13-15)25-23-17-10-8-9-11-18(17)24-25/h8-13,27H,7H2,1-6H3
InChIKeyHVYZXBKVAMLOKP-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.68
Rot. Bonds5

About 3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one

3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one (PubChem CID 155928241) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one.

Molecular Properties

Compound Name3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one
PubChem CID155928241
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one
SMILESCCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C(C)=O)c1
InChIInChI=1S/C22H27N3O2/c1-7-21(3,4)15-12-16(22(5,6)14(2)26)20(27)19(13-15)25-23-17-10-8-9-11-18(17)24-25/h8-13,27H,7H2,1-6H3
InChIKeyHVYZXBKVAMLOKP-UHFFFAOYSA-N
XLogP4.68
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol);zirconium
CID 87129662
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158345963
2H-benzotriazole;2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol
CID 87700797
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol
CID 157340396
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
2-(benzotriazol-2-yl)-4,6-bis(3-phenylpentan-3-yl)phenol
CID 18515457
dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane)
CID 139082832
2,4-bis(2-methylbutan-2-yl)-6-[4-(3-phenylpropyl)triazol-2-yl]phenol
CID 141176247
1-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-phenylurea
CID 139814797
1-[3-(benzotriazol-2-yl)-4-hydroxy-5-(2-phenylpropan-2-yl)phenyl]-4,4-dimethylhexan-3-one
CID 142257079
3-[5-(benzenesulfonyl)benzotriazol-2-yl]-4-hydroxy-5-(2-methylbutan-2-yl)benzoic acid
CID 139839177
2-[2-hydroxy-3-(2-phenylpropan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzo[f]benzotriazole-5,8-dione
CID 162700819

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one?
The IUPAC name of 3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one (CID 155928241) is 3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one.
What is the SMILES notation for 3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one?
The canonical SMILES for 3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one is CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C(C)=O)c1.
What is the InChIKey of 3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one?
The InChIKey is HVYZXBKVAMLOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-7-21(3,4)15-12-16(22(5,6)14(2)26)20(27)19(13-15)25-23-17-10-8-9-11-18(17)24-25/h8-13,27H,7H2,1-6H3.
What are the key properties of 3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one?
3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one has a molecular weight of 365.48 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-3-methylbutan-2-one is sourced from PubChem (CID 155928241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).