1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol

C21H19NO2 — CID 101148315

IUPAC1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol
SMILESCOc1ccccc1N1C(O)=C(C)C1c1ccc2ccccc2c1
InChIInChI=1S/C21H19NO2/c1-14-20(17-12-11-15-7-3-4-8-16(15)13-17)22(21(14)23)18-9-5-6-10-19(18)24-2/h3-13,20,23H,1-2H3
InChIKeyNGSXALGDBOOUMX-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.20
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol

1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol (PubChem CID 101148315) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol
PubChem CID101148315
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol
SMILESCOc1ccccc1N1C(O)=C(C)C1c1ccc2ccccc2c1
InChIInChI=1S/C21H19NO2/c1-14-20(17-12-11-15-7-3-4-8-16(15)13-17)22(21(14)23)18-9-5-6-10-19(18)24-2/h3-13,20,23H,1-2H3
InChIKeyNGSXALGDBOOUMX-UHFFFAOYSA-N
XLogP5.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108633600
1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one
CID 130404557
2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108704431
(1S,6R)-7-(2-methoxyphenyl)-7-azabicyclo[4.1.0]hept-3-ene
CID 102285040
(4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-hydroxyphenyl)-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108577464
4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol
CID 79501434
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
CID 66021210
2-methoxy-5-naphthalen-2-ylphenol
CID 53220915
(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007456
(4E)-4-[hydroxy-(2-methoxy-3,5-dimethylphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 108582738
4-hydroxy-2-(4-hydroxyphenyl)-1-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108582777
5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol
CID 914373

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol?
The IUPAC name of 1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol (CID 101148315) is 1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol?
The canonical SMILES for 1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol is COc1ccccc1N1C(O)=C(C)C1c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol?
The InChIKey is NGSXALGDBOOUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14-20(17-12-11-15-7-3-4-8-16(15)13-17)22(21(14)23)18-9-5-6-10-19(18)24-2/h3-13,20,23H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol?
1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol has a molecular weight of 317.39 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol is sourced from PubChem (CID 101148315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).