1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one

C12H15NO4 — CID 23148524

IUPAC1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCOc2ccc(O)cc21
InChIInChI=1S/C12H15NO4/c1-16-6-4-12(15)13-5-7-17-11-3-2-9(14)8-10(11)13/h2-3,8,14H,4-7H2,1H3
InChIKeyIXLQHYKPCXJROE-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.15
Rot. Bonds3

About 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one

1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one (PubChem CID 23148524) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one
PubChem CID23148524
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCOc2ccc(O)cc21
InChIInChI=1S/C12H15NO4/c1-16-6-4-12(15)13-5-7-17-11-3-2-9(14)8-10(11)13/h2-3,8,14H,4-7H2,1H3
InChIKeyIXLQHYKPCXJROE-UHFFFAOYSA-N
XLogP1.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 10609360
1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 10679323
3-bromo-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 118225604
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-phenoxypropan-1-one
CID 110639448
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 110639273
2-chloro-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880523
1-(6-acetyl-2,3-dihydro-1,4-benzoxazin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110737770
1-[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-methoxypropan-1-one
CID 95051833
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 110639329
[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 3-methylbenzoate
CID 46860548
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110712924
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethoxyphenyl)propan-1-one
CID 32612143

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one (CID 23148524) is 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one is COCCC(=O)N1CCOc2ccc(O)cc21.
What is the InChIKey of 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one?
The InChIKey is IXLQHYKPCXJROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-6-4-12(15)13-5-7-17-11-3-2-9(14)8-10(11)13/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one?
1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one has a molecular weight of 237.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 23148524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).