2-(benzotriazol-2-yl)phenol;ethane

C18H27N3O — CID 54470609

IUPAC2-(benzotriazol-2-yl)phenol;ethane
SMILESCC.CC.CC.Oc1ccccc1-n1nc2ccccc2n1
InChIInChI=1S/C12H9N3O.3C2H6/c16-12-8-4-3-7-11(12)15-13-9-5-1-2-6-10(9)14-15;3*1-2/h1-8,16H;3*1-2H3
InChIKeyXIBXWIIUFAWEKP-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.20
Rot. Bonds1

About 2-(benzotriazol-2-yl)phenol;ethane

2-(benzotriazol-2-yl)phenol;ethane (PubChem CID 54470609) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)phenol;ethane.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)phenol;ethane
PubChem CID54470609
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-(benzotriazol-2-yl)phenol;ethane
SMILESCC.CC.CC.Oc1ccccc1-n1nc2ccccc2n1
InChIInChI=1S/C12H9N3O.3C2H6/c16-12-8-4-3-7-11(12)15-13-9-5-1-2-6-10(9)14-15;3*1-2/h1-8,16H;3*1-2H3
InChIKeyXIBXWIIUFAWEKP-UHFFFAOYSA-N
XLogP5.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-2-yl)-4-methylphenol;ethane
CID 91212938
CID 18720529
CID 18720529
2-(benzotriazol-2-yl)-5-sulfanylphenol
CID 23459194
2-(benzotriazol-2-yl)-4-phosphanylphenol
CID 175937405
2-(benzotriazol-2-yl)-4-prop-1-enylphenol
CID 172745100
2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 20596233
4-(benzotriazol-2-yl)-2,5-dimethoxyphenol
CID 21390051
ethane;methanol;bis(2-phenylbenzotriazole)
CID 162119776
2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol
CID 23459163
1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone
CID 102011466
2-(benzotriazol-2-yl)-4,6-dimethylphenol
CID 90698610
[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methanesulfonic acid
CID 139877706

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)phenol;ethane?
The IUPAC name of 2-(benzotriazol-2-yl)phenol;ethane (CID 54470609) is 2-(benzotriazol-2-yl)phenol;ethane.
What is the SMILES notation for 2-(benzotriazol-2-yl)phenol;ethane?
The canonical SMILES for 2-(benzotriazol-2-yl)phenol;ethane is CC.CC.CC.Oc1ccccc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)phenol;ethane?
The InChIKey is XIBXWIIUFAWEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O.3C2H6/c16-12-8-4-3-7-11(12)15-13-9-5-1-2-6-10(9)14-15;3*1-2/h1-8,16H;3*1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)phenol;ethane?
2-(benzotriazol-2-yl)phenol;ethane has a molecular weight of 301.43 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)phenol;ethane is sourced from PubChem (CID 54470609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).