methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate

C22H19N3O4 — CID 23540886

IUPACmethyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate
SMILESCOC(=O)C(Oc1ccc(OC)cc1-n1nc2ccccc2n1)c1ccccc1
InChIInChI=1S/C22H19N3O4/c1-27-16-12-13-20(29-21(22(26)28-2)15-8-4-3-5-9-15)19(14-16)25-23-17-10-6-7-11-18(17)24-25/h3-14,21H,1-2H3
InChIKeyJODKOALWKXTFMD-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.72
Rot. Bonds6

About methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate

methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate (PubChem CID 23540886) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate
PubChem CID23540886
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namemethyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate
SMILESCOC(=O)C(Oc1ccc(OC)cc1-n1nc2ccccc2n1)c1ccccc1
InChIInChI=1S/C22H19N3O4/c1-27-16-12-13-20(29-21(22(26)28-2)15-8-4-3-5-9-15)19(14-16)25-23-17-10-6-7-11-18(17)24-25/h3-14,21H,1-2H3
InChIKeyJODKOALWKXTFMD-UHFFFAOYSA-N
XLogP3.72
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylpropanoic acid;methane;methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate
CID 157372809
2-(benzotriazol-2-yl)-4-methoxyphenol;2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetic acid;methane;methyl 2-bromo-2-phenylacetate
CID 158128628
(2R)-2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid;(2S)-2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid
CID 159533564
2-(benzotriazol-2-yl)-4-tert-butylphenol;2-[2-(benzotriazol-2-yl)-4-tert-butylphenoxy]-2-phenylacetic acid;methane;methyl 2-bromo-2-phenylacetate
CID 159304856
2-(benzotriazol-2-yl)-4-tert-butylphenol;2-[2-(benzotriazol-2-yl)-4-tert-butylphenoxy]-2-(4-methoxyphenyl)acetic acid;ethyl 2-bromo-2-(4-methoxyphenyl)acetate;methane
CID 159865381
2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-(4-bromophenyl)acetic acid
CID 23540581
methyl 2-(2-formylphenoxy)-2-phenylacetate
CID 87797080
methyl 2-(2-chlorophenoxy)-2-phenylacetate
CID 102391876
methyl 2-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]-2-phenylacetate
CID 170893073
lithium;dipotassium;2-(benzotriazol-2-yl)-4-chlorophenol;2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-(3-bromophenyl)acetic acid;hydride;methane;methyl 2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-(3-bromophenyl)acetate;methyl 2-bromo-2-(3-bromophenyl)acetate;oxido formate;hydroxide
CID 158536875
2-[2-(benzotriazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-(4-bromophenyl)propanoic acid;ethyl 2-[2-(benzotriazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-(4-bromophenyl)acetate;methane
CID 160927080
methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate
CID 20709631

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate?
The IUPAC name of methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate (CID 23540886) is methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate.
What is the SMILES notation for methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate?
The canonical SMILES for methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate is COC(=O)C(Oc1ccc(OC)cc1-n1nc2ccccc2n1)c1ccccc1.
What is the InChIKey of methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate?
The InChIKey is JODKOALWKXTFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-27-16-12-13-20(29-21(22(26)28-2)15-8-4-3-5-9-15)19(14-16)25-23-17-10-6-7-11-18(17)24-25/h3-14,21H,1-2H3.
What are the key properties of methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate?
methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate has a molecular weight of 389.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(benzotriazol-2-yl)-4-methoxyphenoxy]-2-phenylacetate is sourced from PubChem (CID 23540886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).