(2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol

C19H21N3O — CID 11012258

IUPAC(2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)/C(CO)=C(/c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C19H21N3O/c1-19(2,3)15(13-23)18(14-9-5-4-6-10-14)22-17-12-8-7-11-16(17)20-21-22/h4-12,23H,13H2,1-3H3/b18-15-
InChIKeyLXLACSGMPHERRO-SDXDJHTJSA-N
MW307.40 g/mol
LogP3.73
Rot. Bonds3

About (2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol

(2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol (PubChem CID 11012258) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol
PubChem CID11012258
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)/C(CO)=C(/c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C19H21N3O/c1-19(2,3)15(13-23)18(14-9-5-4-6-10-14)22-17-12-8-7-11-16(17)20-21-22/h4-12,23H,13H2,1-3H3/b18-15-
InChIKeyLXLACSGMPHERRO-SDXDJHTJSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
CID 10449065
1-[(E)-2-(4-methylphenyl)-1-phenyl-3-phenylsulfanylprop-1-enyl]benzotriazole
CID 10873738
(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol
CID 135717547
(E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol
CID 102168349
1-[(E)-2-(4-bromophenyl)-1-methoxy-2-phenylethenyl]benzotriazole
CID 10916514
1-[(E)-1-bromobut-1-enyl]benzotriazole
CID 26793587
1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole
CID 156786178
1-[(E)-2-ethoxy-1-phenoxy-2-phenylethenyl]benzotriazole
CID 6517471
O-(4-tert-butylphenyl) benzotriazole-1-carbothioate
CID 11659608
1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole
CID 135064802
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
benzotriazol-1-yl(trimethyl)stannane
CID 165357783

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol?
The IUPAC name of (2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol (CID 11012258) is (2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol is CC(C)(C)/C(CO)=C(/c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of (2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol?
The InChIKey is LXLACSGMPHERRO-SDXDJHTJSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2,3)15(13-23)18(14-9-5-4-6-10-14)22-17-12-8-7-11-16(17)20-21-22/h4-12,23H,13H2,1-3H3/b18-15-.
What are the key properties of (2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol?
(2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol has a molecular weight of 307.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 11012258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).