(2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C16H15NO4 — CID 59863917

IUPAC(2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCOc1ccc2c(c1)NC(=O)[C@H](O)[C@@H](c1ccccc1)O2
InChIInChI=1S/C16H15NO4/c1-20-11-7-8-13-12(9-11)17-16(19)14(18)15(21-13)10-5-3-2-4-6-10/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyWRIZPCLEFDSVKS-HUUCEWRRSA-N
MW285.30 g/mol
LogP2.13
Rot. Bonds2

About (2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

(2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 59863917) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID59863917
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCOc1ccc2c(c1)NC(=O)[C@H](O)[C@@H](c1ccccc1)O2
InChIInChI=1S/C16H15NO4/c1-20-11-7-8-13-12(9-11)17-16(19)14(18)15(21-13)10-5-3-2-4-6-10/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyWRIZPCLEFDSVKS-HUUCEWRRSA-N
XLogP2.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of (2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 59863917) is (2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for (2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for (2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is COc1ccc2c(c1)NC(=O)[C@H](O)[C@@H](c1ccccc1)O2.
What is the InChIKey of (2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is WRIZPCLEFDSVKS-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-11-7-8-13-12(9-11)17-16(19)14(18)15(21-13)10-5-3-2-4-6-10/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
(2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 285.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 59863917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).