2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol

C30H29N3O — CID 141211164

IUPAC2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccccc1)c1cc(-c2cccc3n[nH]nc23)cc(C(C)(C)c2ccccc2O)c1
InChIInChI=1S/C30H29N3O/c1-29(2,21-11-6-5-7-12-21)22-17-20(24-13-10-15-26-28(24)32-33-31-26)18-23(19-22)30(3,4)25-14-8-9-16-27(25)34/h5-19,34H,1-4H3,(H,31,32,33)
InChIKeyKOLMGKWFTLBGPW-UHFFFAOYSA-N
MW447.58 g/mol
LogP6.98
Rot. Bonds5

About 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol

2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol (PubChem CID 141211164) has the molecular formula C30H29N3O and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol
PubChem CID141211164
Molecular FormulaC30H29N3O
Molecular Weight447.58 g/mol
Exact Mass447.23
IUPAC Name2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccccc1)c1cc(-c2cccc3n[nH]nc23)cc(C(C)(C)c2ccccc2O)c1
InChIInChI=1S/C30H29N3O/c1-29(2,21-11-6-5-7-12-21)22-17-20(24-13-10-15-26-28(24)32-33-31-26)18-23(19-22)30(3,4)25-14-8-9-16-27(25)34/h5-19,34H,1-4H3,(H,31,32,33)
InChIKeyKOLMGKWFTLBGPW-UHFFFAOYSA-N
XLogP6.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol with MolForge

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Related Compounds

2-[2-[3-[2-(2H-benzotriazol-4-yl)phenyl]-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol
CID 140668403
4-(2-tert-butylphenyl)-2H-benzotriazole
CID 154366166
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
4-trityl-2H-benzotriazole
CID 176842365
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
ethoxyethane;2-(2-phenylpropan-2-yl)phenol
CID 126484848
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
2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742615
2-[4-[bis(2H-benzotriazol-4-yl)methyl]-2,3,3-trimethylpent-4-en-2-yl]phenol
CID 22035560
2-[4-[3-[4-tert-butyl-6-(2-phenylpropan-2-yl)quinolin-8-yl]-5-(2-phenylpropan-2-yl)phenyl]-1,3-benzoxazol-2-yl]phenol
CID 177110969
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol?
The IUPAC name of 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol (CID 141211164) is 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol.
What is the SMILES notation for 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol?
The canonical SMILES for 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol is CC(C)(c1ccccc1)c1cc(-c2cccc3n[nH]nc23)cc(C(C)(C)c2ccccc2O)c1.
What is the InChIKey of 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol?
The InChIKey is KOLMGKWFTLBGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O/c1-29(2,21-11-6-5-7-12-21)22-17-20(24-13-10-15-26-28(24)32-33-31-26)18-23(19-22)30(3,4)25-14-8-9-16-27(25)34/h5-19,34H,1-4H3,(H,31,32,33).
What are the key properties of 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol?
2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol has a molecular weight of 447.58 g/mol, XLogP of 6.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol is sourced from PubChem (CID 141211164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).