7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one

C16H13NO3 — CID 10400771

IUPAC7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccc2c(=O)oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C16H13NO3/c1-10-5-3-4-6-12(10)15-17-14-9-11(19-2)7-8-13(14)16(18)20-15/h3-9H,1-2H3
InChIKeyWYTIVRAQFXJYMQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.17
Rot. Bonds2

About 7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one

7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one (PubChem CID 10400771) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
PubChem CID10400771
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccc2c(=O)oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C16H13NO3/c1-10-5-3-4-6-12(10)15-17-14-9-11(19-2)7-8-13(14)16(18)20-15/h3-9H,1-2H3
InChIKeyWYTIVRAQFXJYMQ-UHFFFAOYSA-N
XLogP3.17
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 10400770
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 50849295
2-(5-methoxy-2-nitrophenyl)-3,1-benzoxazin-4-one
CID 46189780
2-(2-methylphenyl)-6-nitro-3,1-benzoxazin-4-one
CID 10016605
6-(4-chlorophenyl)-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 23630817
5-(4-methoxyphenyl)-2-(2-methylphenyl)thieno[2,3-d][1,3]oxazin-4-one
CID 876971
2-[4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2,5-dimethylphenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
CID 143956178
2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one
CID 11149809
1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616068
7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 20904219
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one (CID 10400771) is 7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one is COc1ccc2c(=O)oc(-c3ccccc3C)nc2c1.
What is the InChIKey of 7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
The InChIKey is WYTIVRAQFXJYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-5-3-4-6-12(10)15-17-14-9-11(19-2)7-8-13(14)16(18)20-15/h3-9H,1-2H3.
What are the key properties of 7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one has a molecular weight of 267.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 10400771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).