2-(2-methoxyphenyl)-3,1-benzoxazin-4-one

C15H11NO3 — CID 752387

IUPAC2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)o1
InChIInChI=1S/C15H11NO3/c1-18-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(17)19-14/h2-9H,1H3
InChIKeyUAVIZUPEDGFRTN-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.86
Rot. Bonds2

About 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one

2-(2-methoxyphenyl)-3,1-benzoxazin-4-one (PubChem CID 752387) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
PubChem CID752387
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)o1
InChIInChI=1S/C15H11NO3/c1-18-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(17)19-14/h2-9H,1H3
InChIKeyUAVIZUPEDGFRTN-UHFFFAOYSA-N
XLogP2.86
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-phenyl-4H-3,1-benzoxazin-4-one
CID 784738
2-Phenyl-3,1-benzoxazin-4-one
CID 13926
2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one
CID 296008
2-(4-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 708717
2-p-Tolyl-benzo[d][1,3]oxazin-4-one
CID 292612
2-(2-Tolyl)-4H-3,1-benzoxazin-4-one
CID 810910
2-(3,4,5-Trimethoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 292880
2-(4-fluorophenyl)-4H-3,1-benzoxazin-4-one
CID 708482
2-(3-Tolyl)-4H-3,1-benzoxazin-4-one
CID 708712
2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-one
CID 709912
[2-[(E)-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]phenyl] acetate
CID 5291337
[4-oxo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-6-yl] acetate
CID 5377701

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one (CID 752387) is 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one is COc1ccccc1-c1nc2ccccc2c(=O)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The InChIKey is UAVIZUPEDGFRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-18-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(17)19-14/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
2-(2-methoxyphenyl)-3,1-benzoxazin-4-one has a molecular weight of 253.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 752387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).