2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone

C17H15NO2 — CID 175400536

IUPAC2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone
SMILESCc1ccc2c(c1)C(CC(=O)c1ccccc1)=CNO2
InChIInChI=1S/C17H15NO2/c1-12-7-8-17-15(9-12)14(11-18-20-17)10-16(19)13-5-3-2-4-6-13/h2-9,11,18H,10H2,1H3
InChIKeyAXFYDPZSYQCFRK-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.51
Rot. Bonds3

About 2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone

2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone (PubChem CID 175400536) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone
PubChem CID175400536
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone
SMILESCc1ccc2c(c1)C(CC(=O)c1ccccc1)=CNO2
InChIInChI=1S/C17H15NO2/c1-12-7-8-17-15(9-12)14(11-18-20-17)10-16(19)13-5-3-2-4-6-13/h2-9,11,18H,10H2,1H3
InChIKeyAXFYDPZSYQCFRK-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,3S)-2-acetyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl]-1-phenylethanone
CID 102435862
2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone
CID 14288885
5-methyl-2-phenacyl-2-phenyl-1H-indol-3-one
CID 154722464
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
2-[(4-methyl-2-phenylphenyl)methyl]-1,3-diphenylpropane-1,3-dione
CID 141392744
2-(3,5-difluoro-4-methylthiophen-2-yl)-1-phenylethanone
CID 22747228
2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282
1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 116548661
(3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one
CID 71519294
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
2-bromo-1-phenylethanone;toluene
CID 142995126

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone?
The IUPAC name of 2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone (CID 175400536) is 2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone.
What is the SMILES notation for 2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone?
The canonical SMILES for 2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone is Cc1ccc2c(c1)C(CC(=O)c1ccccc1)=CNO2.
What is the InChIKey of 2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone?
The InChIKey is AXFYDPZSYQCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-7-8-17-15(9-12)14(11-18-20-17)10-16(19)13-5-3-2-4-6-13/h2-9,11,18H,10H2,1H3.
What are the key properties of 2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone?
2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone has a molecular weight of 265.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2H-1,2-benzoxazin-4-yl)-1-phenylethanone is sourced from PubChem (CID 175400536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).