2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol

C16H17N3O2 — CID 102189066

IUPAC2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol
SMILESCC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C16H17N3O2/c1-16(2,3)10-8-9-13(20)14(15(10)21)19-17-11-6-4-5-7-12(11)18-19/h4-9,20-21H,1-3H3
InChIKeyWRCPUAHJWBTSEX-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.13
Rot. Bonds1

About 2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol

2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol (PubChem CID 102189066) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol
PubChem CID102189066
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol
SMILESCC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C16H17N3O2/c1-16(2,3)10-8-9-13(20)14(15(10)21)19-17-11-6-4-5-7-12(11)18-19/h4-9,20-21H,1-3H3
InChIKeyWRCPUAHJWBTSEX-UHFFFAOYSA-N
XLogP3.13
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-2-yl)-6-tert-butyl-3-methylphenol
CID 88632349
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol
CID 154015278
2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol
CID 59815222
4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol
CID 152674943
2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
CID 57193432
4-(benzotriazol-2-yl)phenol
CID 164896201
2-(benzotriazol-2-yl)-5-[(3,5-ditert-butyl-4-hydroxyanilino)methyl]-4-methylphenol
CID 102115443
[2-(benzotriazol-2-yl)-6-tert-butylphenyl] acetate
CID 57023113
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158345963
4-(benzotriazol-2-yl)-2-methoxyphenol
CID 23329648

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol (CID 102189066) is 2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol is CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1O.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol?
The InChIKey is WRCPUAHJWBTSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2,3)10-8-9-13(20)14(15(10)21)19-17-11-6-4-5-7-12(11)18-19/h4-9,20-21H,1-3H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol?
2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol has a molecular weight of 283.33 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-tert-butylbenzene-1,3-diol is sourced from PubChem (CID 102189066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).