2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one

C18H19NO4 — CID 6489099

IUPAC2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCOc1cc(C2NC(=O)c3ccccc3O2)ccc1OC(C)C
InChIInChI=1S/C18H19NO4/c1-11(2)22-15-9-8-12(10-16(15)21-3)18-19-17(20)13-6-4-5-7-14(13)23-18/h4-11,18H,1-3H3,(H,19,20)
InChIKeyZNYOQJDDHBAHQR-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.30
Rot. Bonds4

About 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one

2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 6489099) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID6489099
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCOc1cc(C2NC(=O)c3ccccc3O2)ccc1OC(C)C
InChIInChI=1S/C18H19NO4/c1-11(2)22-15-9-8-12(10-16(15)21-3)18-19-17(20)13-6-4-5-7-14(13)23-18/h4-11,18H,1-3H3,(H,19,20)
InChIKeyZNYOQJDDHBAHQR-UHFFFAOYSA-N
XLogP3.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one with MolForge

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Related Compounds

RO 116 1148
CID 44391713
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
Benzamide, N-[4-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)butyl]-2-(2-fluoroethoxy)-5-iodo-3-methoxy-
CID 16126685
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-(18F)fluoroethoxy)-5-iodo-3-methoxy(18F)benzamide
CID 16202156
Iso-1 F-18
CID 16737780
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-2-(tritritiomethoxy)benzamide
CID 54585420
2-(4-Propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 5044994
Propionic acid 2-methoxy-4-(4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-yl)-phenyl ester
CID 6489078
Butyric acid 2-methoxy-4-(4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-yl)-phenyl ester
CID 6489089
Butyric acid 3-(4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-yl)-phenyl ester
CID 6489091
2-(4-Isopropoxy-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one
CID 6489098
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 6489099) is 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is COc1cc(C2NC(=O)c3ccccc3O2)ccc1OC(C)C.
What is the InChIKey of 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is ZNYOQJDDHBAHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11(2)22-15-9-8-12(10-16(15)21-3)18-19-17(20)13-6-4-5-7-14(13)23-18/h4-11,18H,1-3H3,(H,19,20).
What are the key properties of 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 313.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 6489099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).