4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol

C22H21N3O — CID 14204973

IUPAC4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
SMILESCc1ccc(O)c(-n2nc3ccc(C(C)(C)c4ccccc4)cc3n2)c1
InChIInChI=1S/C22H21N3O/c1-15-9-12-21(26)20(13-15)25-23-18-11-10-17(14-19(18)24-25)22(2,3)16-7-5-4-6-8-16/h4-14,26H,1-3H3
InChIKeyOQJVCFDWEAVJMI-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.76
Rot. Bonds3

About 4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol

4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol (PubChem CID 14204973) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
PubChem CID14204973
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
SMILESCc1ccc(O)c(-n2nc3ccc(C(C)(C)c4ccccc4)cc3n2)c1
InChIInChI=1S/C22H21N3O/c1-15-9-12-21(26)20(13-15)25-23-18-11-10-17(14-19(18)24-25)22(2,3)16-7-5-4-6-8-16/h4-14,26H,1-3H3
InChIKeyOQJVCFDWEAVJMI-UHFFFAOYSA-N
XLogP4.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol?
The IUPAC name of 4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol (CID 14204973) is 4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol?
The canonical SMILES for 4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol is Cc1ccc(O)c(-n2nc3ccc(C(C)(C)c4ccccc4)cc3n2)c1.
What is the InChIKey of 4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol?
The InChIKey is OQJVCFDWEAVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-9-12-21(26)20(13-15)25-23-18-11-10-17(14-19(18)24-25)22(2,3)16-7-5-4-6-8-16/h4-14,26H,1-3H3.
What are the key properties of 4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol?
4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol has a molecular weight of 343.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 14204973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).