4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol

C16H17N3O2 — CID 175442719

IUPAC4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1cc(O)ccc1-n1nc2ccccc2n1
InChIInChI=1S/C16H17N3O2/c1-16(2,10-20)12-9-11(21)7-8-15(12)19-17-13-5-3-4-6-14(13)18-19/h3-9,20-21H,10H2,1-2H3
InChIKeyYUWJGHJLIYCNEF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.40
Rot. Bonds3

About 4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol

4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol (PubChem CID 175442719) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol
PubChem CID175442719
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1cc(O)ccc1-n1nc2ccccc2n1
InChIInChI=1S/C16H17N3O2/c1-16(2,10-20)12-9-11(21)7-8-15(12)19-17-13-5-3-4-6-14(13)18-19/h3-9,20-21H,10H2,1-2H3
InChIKeyYUWJGHJLIYCNEF-UHFFFAOYSA-N
XLogP2.40
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde
CID 117284471
2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol
CID 117309492
bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol);zirconium
CID 87129662
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
CID 117339956
4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol
CID 152674943
2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride
CID 118468868
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
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)phenol
CID 164896201
2H-benzotriazole;2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol
CID 87700797
2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol
CID 151025123

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol?
The IUPAC name of 4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol (CID 175442719) is 4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol.
What is the SMILES notation for 4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol?
The canonical SMILES for 4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol is CC(C)(CO)c1cc(O)ccc1-n1nc2ccccc2n1.
What is the InChIKey of 4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol?
The InChIKey is YUWJGHJLIYCNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2,10-20)12-9-11(21)7-8-15(12)19-17-13-5-3-4-6-14(13)18-19/h3-9,20-21H,10H2,1-2H3.
What are the key properties of 4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol?
4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol has a molecular weight of 283.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 175442719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).