(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C17H17NO3 — CID 121271858

IUPAC(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESC[C@@H]1CC(=O)Nc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C17H17NO3/c1-12-9-17(19)18-15-8-7-14(10-16(15)21-12)20-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyQYELEYMBXPYFCU-GFCCVEGCSA-N
MW283.33 g/mol
LogP3.38
Rot. Bonds3

About (2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one

(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 121271858) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID121271858
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESC[C@@H]1CC(=O)Nc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C17H17NO3/c1-12-9-17(19)18-15-8-7-14(10-16(15)21-12)20-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyQYELEYMBXPYFCU-GFCCVEGCSA-N
XLogP3.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dimethoxy-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231747
2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 166452154
4-methyl-7-phenylmethoxy-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 70496713
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559305
4-phenylmethoxypyran-2-one
CID 16637546
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
methyl (2R)-5-phenylmethoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 57219346
4,4-dicyclohexyl-7-phenylmethoxy-1,3-benzodioxine-2-carboxylic acid
CID 72546412
2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one
CID 11772503
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582
3,3-dimethyl-5-phenylmethoxy-1-benzofuran-2-one
CID 563751

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of (2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 121271858) is (2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for (2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for (2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one is C[C@@H]1CC(=O)Nc2ccc(OCc3ccccc3)cc2O1.
What is the InChIKey of (2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is QYELEYMBXPYFCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-9-17(19)18-15-8-7-14(10-16(15)21-12)20-11-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 283.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 121271858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).