(3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C26H26FNO7 — CID 162675381

IUPAC(3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@H](COc3ccc(F)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C26H26FNO7/c1-31-21-10-5-15(11-20(21)29)24-19(14-35-18-8-6-16(27)7-9-18)26(30)28(24)17-12-22(32-2)25(34-4)23(13-17)33-3/h5-13,19,24,29H,14H2,1-4H3/t19-,24-/m0/s1
InChIKeyGFVCCBZPDUWSRS-CYFREDJKSA-N
MW483.49 g/mol
LogP4.35
Rot. Bonds9

About (3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

(3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 162675381) has the molecular formula C26H26FNO7 and a molecular weight of 483.49 g/mol. Its IUPAC name is (3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID162675381
Molecular FormulaC26H26FNO7
Molecular Weight483.49 g/mol
Exact Mass483.17
IUPAC Name(3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@H](COc3ccc(F)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C26H26FNO7/c1-31-21-10-5-15(11-20(21)29)24-19(14-35-18-8-6-16(27)7-9-18)26(30)28(24)17-12-22(32-2)25(34-4)23(13-17)33-3/h5-13,19,24,29H,14H2,1-4H3/t19-,24-/m0/s1
InChIKeyGFVCCBZPDUWSRS-CYFREDJKSA-N
XLogP4.35
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4R)-3-(chloromethyl)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162667268
(4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974440
(3R,4R)-3-(difluoromethoxy)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 175912034
N-[(2S,3S)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]methanesulfonamide
CID 131974453
(3R,4R)-1-(3,4-dimethoxy-5-methylselanylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-3-methylazetidin-2-one
CID 172750266
(3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 163287277
(3S,4R)-4-(3,4-dihydroxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025179
(3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 71493452
3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 67240889
2-(3-hydroxy-4-methoxyphenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 141303590
(3R,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxy-3-(methoxymethyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974455
(4S)-4-(4-methoxyphenyl)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 54585323

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 162675381) is (3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc([C@H]2[C@H](COc3ccc(F)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of (3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is GFVCCBZPDUWSRS-CYFREDJKSA-N. The full InChI is InChI=1S/C26H26FNO7/c1-31-21-10-5-15(11-20(21)29)24-19(14-35-18-8-6-16(27)7-9-18)26(30)28(24)17-12-22(32-2)25(34-4)23(13-17)33-3/h5-13,19,24,29H,14H2,1-4H3/t19-,24-/m0/s1.
What are the key properties of (3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 483.49 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 162675381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).