2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol

C15H17N3O — CID 73430782

IUPAC2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol
SMILESCc1cc(C)c(O)c(N2N=C3C=CC=CC3N2C)c1
InChIInChI=1S/C15H17N3O/c1-10-8-11(2)15(19)14(9-10)18-16-12-6-4-5-7-13(12)17(18)3/h4-9,13,19H,1-3H3
InChIKeyOPXLZRJKSHQEKN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.53
Rot. Bonds1

About 2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol

2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol (PubChem CID 73430782) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol.

Molecular Properties

Compound Name2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol
PubChem CID73430782
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol
SMILESCc1cc(C)c(O)c(N2N=C3C=CC=CC3N2C)c1
InChIInChI=1S/C15H17N3O/c1-10-8-11(2)15(19)14(9-10)18-16-12-6-4-5-7-13(12)17(18)3/h4-9,13,19H,1-3H3
InChIKeyOPXLZRJKSHQEKN-UHFFFAOYSA-N
XLogP2.53
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol?
The IUPAC name of 2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol (CID 73430782) is 2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol.
What is the SMILES notation for 2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol?
The canonical SMILES for 2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol is Cc1cc(C)c(O)c(N2N=C3C=CC=CC3N2C)c1.
What is the InChIKey of 2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol?
The InChIKey is OPXLZRJKSHQEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-8-11(2)15(19)14(9-10)18-16-12-6-4-5-7-13(12)17(18)3/h4-9,13,19H,1-3H3.
What are the key properties of 2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol?
2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol has a molecular weight of 255.32 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(3-methyl-3aH-benzotriazol-2-yl)phenol is sourced from PubChem (CID 73430782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).