6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one

C17H17NO3 — CID 82229249

IUPAC6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCc1ccccc1CC1Oc2ccc(O)cc2N(C)C1=O
InChIInChI=1S/C17H17NO3/c1-11-5-3-4-6-12(11)9-16-17(20)18(2)14-10-13(19)7-8-15(14)21-16/h3-8,10,16,19H,9H2,1-2H3
InChIKeyVAHKGRUBYLYAPG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.67
Rot. Bonds2

About 6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one

6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one (PubChem CID 82229249) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
PubChem CID82229249
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCc1ccccc1CC1Oc2ccc(O)cc2N(C)C1=O
InChIInChI=1S/C17H17NO3/c1-11-5-3-4-6-12(11)9-16-17(20)18(2)14-10-13(19)7-8-15(14)21-16/h3-8,10,16,19H,9H2,1-2H3
InChIKeyVAHKGRUBYLYAPG-UHFFFAOYSA-N
XLogP2.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dimethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229239
2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229238
2-[(3,4-dimethylphenyl)methyl]-6-hydroxy-4-(2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 82229345
4-ethyl-7-hydroxy-2-[(2-propan-2-ylphenyl)methyl]-1,4-benzoxazin-3-one
CID 82229156
2-[(3-chlorophenyl)methyl]-7-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229236
2-(4,6-dimethyl-3-oxo-1,4-benzoxazin-2-yl)acetic acid
CID 82025526
2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-4H-1,4-benzoxazin-3-one
CID 82228664
2-benzyl-4-methyl-6-nitro-1,4-benzoxazin-3-one
CID 14423997
7-hydroxy-2-[(2-methoxyphenyl)methyl]-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 82229404
6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228731
5-bromo-1-methyl-3-[(2-methylphenyl)methyl]-3H-indol-2-one
CID 43912532
2-ethyl-6-(1-hydroxyethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82354955

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one (CID 82229249) is 6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one is Cc1ccccc1CC1Oc2ccc(O)cc2N(C)C1=O.
What is the InChIKey of 6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The InChIKey is VAHKGRUBYLYAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-5-3-4-6-12(11)9-16-17(20)18(2)14-10-13(19)7-8-15(14)21-16/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one has a molecular weight of 283.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 82229249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).