4-(benzotriazol-2-yl)phenol

C24H18N6O2 — CID 164896201

IUPAC4-(benzotriazol-2-yl)phenol
SMILESOc1ccc(-n2nc3ccccc3n2)cc1.Oc1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/2C12H9N3O/c2*16-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)14-15/h2*1-8,16H
InChIKeyDNYFXEHSPGKISD-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.25
Rot. Bonds2

About 4-(benzotriazol-2-yl)phenol

4-(benzotriazol-2-yl)phenol (PubChem CID 164896201) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)phenol.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)phenol
PubChem CID164896201
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC Name4-(benzotriazol-2-yl)phenol
SMILESOc1ccc(-n2nc3ccccc3n2)cc1.Oc1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/2C12H9N3O/c2*16-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)14-15/h2*1-8,16H
InChIKeyDNYFXEHSPGKISD-UHFFFAOYSA-N
XLogP4.25
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;methanol;bis(2-phenylbenzotriazole)
CID 162119776
4-(pentazol-1-yl)phenol
CID 23279380
5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine
CID 118429547
4-(benzotriazol-2-yl)benzenesulfonamide
CID 121010064
4-(benzotriazol-2-yl)-2-methoxyphenol
CID 23329648
2-[4-[6-[4-(benzotriazol-2-yl)phenoxy]hexoxy]phenyl]benzotriazole
CID 139659516
2-[4-(benzotriazol-2-yl)-2-methylphenyl]phenol
CID 70182410
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
CID 161309398
2-[4-(benzotriazol-2-yl)phenoxy]-2-methylpropanoic acid
CID 11948654
N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 57202084
2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride
CID 118468868

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-2-yl)phenol?
The IUPAC name of 4-(benzotriazol-2-yl)phenol (CID 164896201) is 4-(benzotriazol-2-yl)phenol.
What is the SMILES notation for 4-(benzotriazol-2-yl)phenol?
The canonical SMILES for 4-(benzotriazol-2-yl)phenol is Oc1ccc(-n2nc3ccccc3n2)cc1.Oc1ccc(-n2nc3ccccc3n2)cc1.
What is the InChIKey of 4-(benzotriazol-2-yl)phenol?
The InChIKey is DNYFXEHSPGKISD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9N3O/c2*16-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)14-15/h2*1-8,16H.
What are the key properties of 4-(benzotriazol-2-yl)phenol?
4-(benzotriazol-2-yl)phenol has a molecular weight of 422.45 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-2-yl)phenol is sourced from PubChem (CID 164896201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).