4-(benzotriazol-2-yl)-2-ethylphenol

C14H13N3O — CID 102011482

IUPAC4-(benzotriazol-2-yl)-2-ethylphenol
SMILESCCc1cc(-n2nc3ccccc3n2)ccc1O
InChIInChI=1S/C14H13N3O/c1-2-10-9-11(7-8-14(10)18)17-15-12-5-3-4-6-13(12)16-17/h3-9,18H,2H2,1H3
InChIKeyCNIXMBCAXSKEQX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.69
Rot. Bonds2

About 4-(benzotriazol-2-yl)-2-ethylphenol

4-(benzotriazol-2-yl)-2-ethylphenol (PubChem CID 102011482) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)-2-ethylphenol.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)-2-ethylphenol
PubChem CID102011482
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(benzotriazol-2-yl)-2-ethylphenol
SMILESCCc1cc(-n2nc3ccccc3n2)ccc1O
InChIInChI=1S/C14H13N3O/c1-2-10-9-11(7-8-14(10)18)17-15-12-5-3-4-6-13(12)16-17/h3-9,18H,2H2,1H3
InChIKeyCNIXMBCAXSKEQX-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-2-yl)-2-ethylphenol?
The IUPAC name of 4-(benzotriazol-2-yl)-2-ethylphenol (CID 102011482) is 4-(benzotriazol-2-yl)-2-ethylphenol.
What is the SMILES notation for 4-(benzotriazol-2-yl)-2-ethylphenol?
The canonical SMILES for 4-(benzotriazol-2-yl)-2-ethylphenol is CCc1cc(-n2nc3ccccc3n2)ccc1O.
What is the InChIKey of 4-(benzotriazol-2-yl)-2-ethylphenol?
The InChIKey is CNIXMBCAXSKEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-10-9-11(7-8-14(10)18)17-15-12-5-3-4-6-13(12)16-17/h3-9,18H,2H2,1H3.
What are the key properties of 4-(benzotriazol-2-yl)-2-ethylphenol?
4-(benzotriazol-2-yl)-2-ethylphenol has a molecular weight of 239.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-2-yl)-2-ethylphenol is sourced from PubChem (CID 102011482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).