(3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one

C19H21NO7 — CID 71493452

IUPAC(3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H21NO7/c1-24-13-6-5-11(9-12(13)21)20-16(17(22)19(20)23)10-7-14(25-2)18(27-4)15(8-10)26-3/h5-9,16-17,21-22H,1-4H3/t16-,17+/m0/s1
InChIKeyPRSGFQJXQPBKCV-DLBZAZTESA-N
MW375.38 g/mol
LogP1.88
Rot. Bonds6

About (3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one

(3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 71493452) has the molecular formula C19H21NO7 and a molecular weight of 375.38 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID71493452
Molecular FormulaC19H21NO7
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Name(3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H21NO7/c1-24-13-6-5-11(9-12(13)21)20-16(17(22)19(20)23)10-7-14(25-2)18(27-4)15(8-10)26-3/h5-9,16-17,21-22H,1-4H3/t16-,17+/m0/s1
InChIKeyPRSGFQJXQPBKCV-DLBZAZTESA-N
XLogP1.88
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 71493452) is (3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)[C@H](O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of (3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is PRSGFQJXQPBKCV-DLBZAZTESA-N. The full InChI is InChI=1S/C19H21NO7/c1-24-13-6-5-11(9-12(13)21)20-16(17(22)19(20)23)10-7-14(25-2)18(27-4)15(8-10)26-3/h5-9,16-17,21-22H,1-4H3/t16-,17+/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 375.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 71493452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).