2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol

C22H21N3O — CID 135235557

IUPAC2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol
SMILESCc1cc(C(C)Cc2ccccc2)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C22H21N3O/c1-15-12-18(16(2)14-17-8-4-3-5-9-17)22(26)21(13-15)25-23-19-10-6-7-11-20(19)24-25/h3-13,16,26H,14H2,1-2H3
InChIKeyFTDQHSNMLXERDB-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.78
Rot. Bonds4

About 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol

2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol (PubChem CID 135235557) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol
PubChem CID135235557
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol
SMILESCc1cc(C(C)Cc2ccccc2)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C22H21N3O/c1-15-12-18(16(2)14-17-8-4-3-5-9-17)22(26)21(13-15)25-23-19-10-6-7-11-20(19)24-25/h3-13,16,26H,14H2,1-2H3
InChIKeyFTDQHSNMLXERDB-UHFFFAOYSA-N
XLogP4.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol (CID 135235557) is 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol is Cc1cc(C(C)Cc2ccccc2)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol?
The InChIKey is FTDQHSNMLXERDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-12-18(16(2)14-17-8-4-3-5-9-17)22(26)21(13-15)25-23-19-10-6-7-11-20(19)24-25/h3-13,16,26H,14H2,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol?
2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol has a molecular weight of 343.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol is sourced from PubChem (CID 135235557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).