4-(benzotriazol-1-ylmethyl)-2-methoxyphenol

C14H13N3O2 — CID 6498136

IUPAC4-(benzotriazol-1-ylmethyl)-2-methoxyphenol
SMILESCOc1cc(Cn2nnc3ccccc32)ccc1O
InChIInChI=1S/C14H13N3O2/c1-19-14-8-10(6-7-13(14)18)9-17-12-5-3-2-4-11(12)15-16-17/h2-8,18H,9H2,1H3
InChIKeyMJSCTKLSRLQXBS-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.19
Rot. Bonds3

About 4-(benzotriazol-1-ylmethyl)-2-methoxyphenol

4-(benzotriazol-1-ylmethyl)-2-methoxyphenol (PubChem CID 6498136) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethyl)-2-methoxyphenol
PubChem CID6498136
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-(benzotriazol-1-ylmethyl)-2-methoxyphenol
SMILESCOc1cc(Cn2nnc3ccccc32)ccc1O
InChIInChI=1S/C14H13N3O2/c1-19-14-8-10(6-7-13(14)18)9-17-12-5-3-2-4-11(12)15-16-17/h2-8,18H,9H2,1H3
InChIKeyMJSCTKLSRLQXBS-UHFFFAOYSA-N
XLogP2.19
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-3-methoxyphenyl)methyl]benzotriazole
CID 90392764
1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole
CID 3839350
1-[(4-chlorophenyl)methyl]benzotriazole
CID 894883
2-(benzotriazol-1-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4259010
4-(benzotriazol-1-ylmethyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 43060750
[4-(benzotriazol-1-ylmethyl)phenyl] acetate
CID 89269393
3-(benzotriazol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135517146
2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 169091805
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
CID 708613
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085114
4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088195
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethyl)-2-methoxyphenol?
The IUPAC name of 4-(benzotriazol-1-ylmethyl)-2-methoxyphenol (CID 6498136) is 4-(benzotriazol-1-ylmethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(benzotriazol-1-ylmethyl)-2-methoxyphenol?
The canonical SMILES for 4-(benzotriazol-1-ylmethyl)-2-methoxyphenol is COc1cc(Cn2nnc3ccccc32)ccc1O.
What is the InChIKey of 4-(benzotriazol-1-ylmethyl)-2-methoxyphenol?
The InChIKey is MJSCTKLSRLQXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-14-8-10(6-7-13(14)18)9-17-12-5-3-2-4-11(12)15-16-17/h2-8,18H,9H2,1H3.
What are the key properties of 4-(benzotriazol-1-ylmethyl)-2-methoxyphenol?
4-(benzotriazol-1-ylmethyl)-2-methoxyphenol has a molecular weight of 255.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethyl)-2-methoxyphenol is sourced from PubChem (CID 6498136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).