3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one

C24H20N4O3 — CID 139233811

IUPAC3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESCOc1cc(C2C(=O)N(c3ncn[nH]3)C2(c2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C24H20N4O3/c1-31-20-14-16(12-13-19(20)29)21-22(30)28(23-25-15-26-27-23)24(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21,29H,1H3,(H,25,26,27)
InChIKeyGYQHUKCVXWSYIO-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.59
Rot. Bonds5

About 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one

3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (PubChem CID 139233811) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
PubChem CID139233811
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
SMILESCOc1cc(C2C(=O)N(c3ncn[nH]3)C2(c2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C24H20N4O3/c1-31-20-14-16(12-13-19(20)29)21-22(30)28(23-25-15-26-27-23)24(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21,29H,1H3,(H,25,26,27)
InChIKeyGYQHUKCVXWSYIO-UHFFFAOYSA-N
XLogP3.59
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one with MolForge

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Related Compounds

(3R,4S)-4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 127034177
(3R,4S)-3,4-bis(3,4-dimethoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 127034178
3-(4-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233801
3-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233804
3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233808

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one (CID 139233811) is 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is COc1cc(C2C(=O)N(c3ncn[nH]3)C2(c2ccccc2)c2ccccc2)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
The InChIKey is GYQHUKCVXWSYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-31-20-14-16(12-13-19(20)29)21-22(30)28(23-25-15-26-27-23)24(21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21,29H,1H3,(H,25,26,27).
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one?
3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one has a molecular weight of 412.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one is sourced from PubChem (CID 139233811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).