(3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one

C19H17NO3 — CID 100929834

IUPAC(3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one
SMILESC=C=C[C@]1(O)C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H17NO3/c1-3-13-19(22)17(14-7-5-4-6-8-14)20(18(19)21)15-9-11-16(23-2)12-10-15/h4-13,17,22H,1H2,2H3/t17-,19+/m0/s1
InChIKeyJQRKVVSKOZZNAX-PKOBYXMFSA-N
MW307.35 g/mol
LogP2.86
Rot. Bonds4

About (3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one

(3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one (PubChem CID 100929834) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one
PubChem CID100929834
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one
SMILESC=C=C[C@]1(O)C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H17NO3/c1-3-13-19(22)17(14-7-5-4-6-8-14)20(18(19)21)15-9-11-16(23-2)12-10-15/h4-13,17,22H,1H2,2H3/t17-,19+/m0/s1
InChIKeyJQRKVVSKOZZNAX-PKOBYXMFSA-N
XLogP2.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186
(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
CID 101180542
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 11661663
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3S,4R)-3-benzylsulfanyl-3-methoxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 101404324
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
(3R,4S)-3-[dimethyl(phenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylazetidin-2-one
CID 11812305
(3S,4R)-3-(4-methoxyphenyl)-1,4-diphenyl-3-(2-phenylprop-2-enyl)azetidin-2-one
CID 162417821
(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 102159226
(3S,4R)-1-(4-methoxyphenyl)-4-phenyl-3-phenylselanyl-3-prop-2-ynoxyazetidin-2-one
CID 102273667

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one (CID 100929834) is (3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one is C=C=C[C@]1(O)C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one?
The InChIKey is JQRKVVSKOZZNAX-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-13-19(22)17(14-7-5-4-6-8-14)20(18(19)21)15-9-11-16(23-2)12-10-15/h4-13,17,22H,1H2,2H3/t17-,19+/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one?
(3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one is sourced from PubChem (CID 100929834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).