(3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one

C92H102N4O12Si — CID 158458753

IUPAC(3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one
SMILESC/C=C1/C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(O)c1.C/C=C1\C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(O)c1.COc1cc(N2C(=O)/C(=C\C[Si](C)(C)C)[C@@H]2c2ccc(C)c(O)c2)cc(C)c1C.COc1cc(N2C(=O)/C(=C\c3ccccc3)[C@@H]2c2ccc(C)c(O)c2)cc(C)c1C
InChIInChI=1S/C26H25NO3.C24H31NO3Si.2C21H23NO3/c1-16-10-11-20(14-23(16)28)25-22(13-19-8-6-5-7-9-19)26(29)27(25)21-12-17(2)18(3)24(15-21)30-4;1-15-8-9-18(13-21(15)26)23-20(10-11-29(5,6)7)24(27)25(23)19-12-16(2)17(3)22(14-19)28-4;2*1-6-17-20(15-8-7-12(2)18(23)10-15)22(21(17)24)16-9-13(3)14(4)19(11-16)25-5/h5-15,25,28H,1-4H3;8-10,12-14,23,26H,11H2,1-7H3;2*6-11,20,23H,1-5H3/b22-13-;20-10-;17-6+;17-6-/t25-;23-;2*20-/m0000/s1
InChIKeyHEWYKGXKCBJQNN-IYGINAMFSA-N
MW1483.93 g/mol
LogP19.90
Rot. Bonds15

About (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one

(3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one (PubChem CID 158458753) has the molecular formula C92H102N4O12Si and a molecular weight of 1483.93 g/mol. Its IUPAC name is (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one.

Molecular Properties

Compound Name(3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one
PubChem CID158458753
Molecular FormulaC92H102N4O12Si
Molecular Weight1483.93 g/mol
Exact Mass1482.73
IUPAC Name(3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one
SMILESC/C=C1/C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(O)c1.C/C=C1\C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(O)c1.COc1cc(N2C(=O)/C(=C\C[Si](C)(C)C)[C@@H]2c2ccc(C)c(O)c2)cc(C)c1C.COc1cc(N2C(=O)/C(=C\c3ccccc3)[C@@H]2c2ccc(C)c(O)c2)cc(C)c1C
InChIInChI=1S/C26H25NO3.C24H31NO3Si.2C21H23NO3/c1-16-10-11-20(14-23(16)28)25-22(13-19-8-6-5-7-9-19)26(29)27(25)21-12-17(2)18(3)24(15-21)30-4;1-15-8-9-18(13-21(15)26)23-20(10-11-29(5,6)7)24(27)25(23)19-12-16(2)17(3)22(14-19)28-4;2*1-6-17-20(15-8-7-12(2)18(23)10-15)22(21(17)24)16-9-13(3)14(4)19(11-16)25-5/h5-15,25,28H,1-4H3;8-10,12-14,23,26H,11H2,1-7H3;2*6-11,20,23H,1-5H3/b22-13-;20-10-;17-6+;17-6-/t25-;23-;2*20-/m0000/s1
InChIKeyHEWYKGXKCBJQNN-IYGINAMFSA-N
XLogP19.90
TPSA199.08 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001483.93
LogP ≤ 519.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one?
The IUPAC name of (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one (CID 158458753) is (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one.
What is the SMILES notation for (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one?
The canonical SMILES for (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one is C/C=C1/C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(O)c1.C/C=C1\C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(O)c1.COc1cc(N2C(=O)/C(=C\C[Si](C)(C)C)[C@@H]2c2ccc(C)c(O)c2)cc(C)c1C.COc1cc(N2C(=O)/C(=C\c3ccccc3)[C@@H]2c2ccc(C)c(O)c2)cc(C)c1C.
What is the InChIKey of (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one?
The InChIKey is HEWYKGXKCBJQNN-IYGINAMFSA-N. The full InChI is InChI=1S/C26H25NO3.C24H31NO3Si.2C21H23NO3/c1-16-10-11-20(14-23(16)28)25-22(13-19-8-6-5-7-9-19)26(29)27(25)21-12-17(2)18(3)24(15-21)30-4;1-15-8-9-18(13-21(15)26)23-20(10-11-29(5,6)7)24(27)25(23)19-12-16(2)17(3)22(14-19)28-4;2*1-6-17-20(15-8-7-12(2)18(23)10-15)22(21(17)24)16-9-13(3)14(4)19(11-16)25-5/h5-15,25,28H,1-4H3;8-10,12-14,23,26H,11H2,1-7H3;2*6-11,20,23H,1-5H3/b22-13-;20-10-;17-6+;17-6-/t25-;23-;2*20-/m0000/s1.
What are the key properties of (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one?
(3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one has a molecular weight of 1483.93 g/mol, XLogP of 19.90, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4S)-3-benzylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3E,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-3-ethylidene-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)azetidin-2-one;(3Z,4S)-4-(3-hydroxy-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one is sourced from PubChem (CID 158458753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).