3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C25H25NO6 — CID 67240889

IUPAC3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(c3ccc(O)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H25NO6/c1-29-19-11-7-16(8-12-19)23-22(15-5-9-18(27)10-6-15)25(28)26(23)17-13-20(30-2)24(32-4)21(14-17)31-3/h5-14,22-23,27H,1-4H3
InChIKeyTVWYNHDDOFHWNB-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.30
Rot. Bonds7

About 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 67240889) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID67240889
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Name3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(c3ccc(O)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H25NO6/c1-29-19-11-7-16(8-12-19)23-22(15-5-9-18(27)10-6-15)25(28)26(23)17-13-20(30-2)24(32-4)21(14-17)31-3/h5-14,22-23,27H,1-4H3
InChIKeyTVWYNHDDOFHWNB-UHFFFAOYSA-N
XLogP4.30
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 67240889) is 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc(C2C(c3ccc(O)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is TVWYNHDDOFHWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-29-19-11-7-16(8-12-19)23-22(15-5-9-18(27)10-6-15)25(28)26(23)17-13-20(30-2)24(32-4)21(14-17)31-3/h5-14,22-23,27H,1-4H3.
What are the key properties of 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 435.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 67240889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).