2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol

C22H29N3O — CID 146444364

IUPAC2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol
SMILESCCC(C)Cc1cc(CC(C)CC)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C22H29N3O/c1-5-15(3)11-17-13-18(12-16(4)6-2)22(26)21(14-17)25-23-19-9-7-8-10-20(19)24-25/h7-10,13-16,26H,5-6,11-12H2,1-4H3
InChIKeyPWJCGSFHWWTXCO-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.30
Rot. Bonds7

About 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol

2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol (PubChem CID 146444364) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol
PubChem CID146444364
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol
SMILESCCC(C)Cc1cc(CC(C)CC)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C22H29N3O/c1-5-15(3)11-17-13-18(12-16(4)6-2)22(26)21(14-17)25-23-19-9-7-8-10-20(19)24-25/h7-10,13-16,26H,5-6,11-12H2,1-4H3
InChIKeyPWJCGSFHWWTXCO-UHFFFAOYSA-N
XLogP5.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.30
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)-4,6-bis(2-methylbutyl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol (CID 146444364) is 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol is CCC(C)Cc1cc(CC(C)CC)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol?
The InChIKey is PWJCGSFHWWTXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-5-15(3)11-17-13-18(12-16(4)6-2)22(26)21(14-17)25-23-19-9-7-8-10-20(19)24-25/h7-10,13-16,26H,5-6,11-12H2,1-4H3.
What are the key properties of 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol?
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol has a molecular weight of 351.49 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutyl)phenol is sourced from PubChem (CID 146444364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).