(3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one

C16H21NO3 — CID 11054921

IUPAC(3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@@H](O)[C@@H]2C2CCCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-20-13-9-7-12(8-10-13)17-14(15(18)16(17)19)11-5-3-2-4-6-11/h7-11,14-15,18H,2-6H2,1H3/t14-,15-/m0/s1
InChIKeyQPIOMVWKNDBXHF-GJZGRUSLSA-N
MW275.35 g/mol
LogP2.35
Rot. Bonds3

About (3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one

(3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 11054921) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID11054921
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@@H](O)[C@@H]2C2CCCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-20-13-9-7-12(8-10-13)17-14(15(18)16(17)19)11-5-3-2-4-6-11/h7-11,14-15,18H,2-6H2,1H3/t14-,15-/m0/s1
InChIKeyQPIOMVWKNDBXHF-GJZGRUSLSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-1-(4-methoxyphenyl)azetidin-2-one
CID 10999789
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-3-one
CID 54072038
(4S,5R)-4-bromo-5-hydroxy-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10891443
N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23830829
(4R)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 144520050
(3S,4S)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 56963906
(4R)-1-(4-methoxyphenyl)-3-methyl-4-[(2S,3S)-3-methyloxiran-2-yl]azetidin-2-one
CID 44596638
5-cyclohexyl-4-(4-methoxybenzoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione
CID 123669022
(1R,3R,4R,5R)-4-bromo-6-(4-methoxyphenyl)-3-phenyl-2,6-diazabicyclo[3.2.0]heptan-7-one
CID 102339314
(3aS,7aR)-2-(4-methoxybenzoyl)-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 15855714

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one (CID 11054921) is (3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)[C@@H](O)[C@@H]2C2CCCCC2)cc1.
What is the InChIKey of (3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is QPIOMVWKNDBXHF-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-13-9-7-12(8-10-13)17-14(15(18)16(17)19)11-5-3-2-4-6-11/h7-11,14-15,18H,2-6H2,1H3/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one?
(3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 11054921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).