[8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate

C20H15N3O3 — CID 22964457

IUPAC[8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2ccc(O)c(-n3nc4ccccc4n3)c2c1
InChIInChI=1S/C20H15N3O3/c1-12(2)20(25)26-14-9-7-13-8-10-18(24)19(15(13)11-14)23-21-16-5-3-4-6-17(16)22-23/h3-11,24H,1H2,2H3
InChIKeyBCEYMFJIBDJGOB-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.76
Rot. Bonds3

About [8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate

[8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate (PubChem CID 22964457) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is [8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate
PubChem CID22964457
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name[8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2ccc(O)c(-n3nc4ccccc4n3)c2c1
InChIInChI=1S/C20H15N3O3/c1-12(2)20(25)26-14-9-7-13-8-10-18(24)19(15(13)11-14)23-21-16-5-3-4-6-17(16)22-23/h3-11,24H,1H2,2H3
InChIKeyBCEYMFJIBDJGOB-UHFFFAOYSA-N
XLogP3.76
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-[3-(benzotriazol-2-yl)-4-hydroxyphenoxy]butyl 2-methylprop-2-enoate
CID 171768656
2-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]ethyl 2-methylprop-2-enoate
CID 23454979
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
2-[3-(benzotriazol-2-yl)-2-[2-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]ethyl]-4-hydroxyphenyl]ethyl 2-methylprop-2-enoate
CID 175051896
[3-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 101084004
2-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]ethyl 2-methylprop-2-eneperoxoate
CID 89499220
[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 123278935
4-(2-methylprop-2-enoyloxy)butyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
CID 171768525
2-[4-(benzotriazol-2-yl)-3-hydroxyphenyl]ethyl 2-methylprop-2-enoate
CID 22723737
(2-phenylbenzotriazol-4-yl) 2-methylprop-2-enoate
CID 175263872
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
[4-(benzotriazol-2-yl)-3-hydroxy-2-octoxyphenyl] 2-methylprop-2-enoate
CID 145007464

Frequently Asked Questions

What is the IUPAC name of [8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate (CID 22964457) is [8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc2ccc(O)c(-n3nc4ccccc4n3)c2c1.
What is the InChIKey of [8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate?
The InChIKey is BCEYMFJIBDJGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-12(2)20(25)26-14-9-7-13-8-10-18(24)19(15(13)11-14)23-21-16-5-3-4-6-17(16)22-23/h3-11,24H,1H2,2H3.
What are the key properties of [8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate?
[8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate has a molecular weight of 345.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(benzotriazol-2-yl)-7-hydroxynaphthalen-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 22964457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).