6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one

C12H13NO3 — CID 142239429

IUPAC6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one
SMILESCOc1ccc2oc(=O)nc(C(C)C)c2c1
InChIInChI=1S/C12H13NO3/c1-7(2)11-9-6-8(15-3)4-5-10(9)16-12(14)13-11/h4-7H,1-3H3
InChIKeyBNVHWYMUCRUKMZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.32
Rot. Bonds2

About 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one

6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one (PubChem CID 142239429) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one
PubChem CID142239429
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one
SMILESCOc1ccc2oc(=O)nc(C(C)C)c2c1
InChIInChI=1S/C12H13NO3/c1-7(2)11-9-6-8(15-3)4-5-10(9)16-12(14)13-11/h4-7H,1-3H3
InChIKeyBNVHWYMUCRUKMZ-UHFFFAOYSA-N
XLogP2.32
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-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

6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine
CID 28924769
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
3-(dibromomethyl)-5-methoxy-1,2-benzoxazole
CID 119090324
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
CID 131696400
2-(6-methoxy-4-oxo-1,3-benzoxazin-2-yl)acetonitrile
CID 57046939
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
6-methoxy-2-naphthalen-1-ylchromen-4-one
CID 101199267
4-ethyl-6-(2-methoxyethoxy)-1,3-benzoxazin-2-one
CID 71154500
2-methoxy-6-nitro-7-propan-2-yldibenzofuran
CID 130464581

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one?
The IUPAC name of 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one (CID 142239429) is 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one.
What is the SMILES notation for 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one?
The canonical SMILES for 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one is COc1ccc2oc(=O)nc(C(C)C)c2c1.
What is the InChIKey of 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one?
The InChIKey is BNVHWYMUCRUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7(2)11-9-6-8(15-3)4-5-10(9)16-12(14)13-11/h4-7H,1-3H3.
What are the key properties of 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one?
6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one has a molecular weight of 219.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one is sourced from PubChem (CID 142239429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).