(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone

C17H17NO2 — CID 3794817

IUPAC(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2c3ccccc3OCC2C)cc1
InChIInChI=1S/C17H17NO2/c1-12-7-9-14(10-8-12)17(19)18-13(2)11-20-16-6-4-3-5-15(16)18/h3-10,13H,11H2,1-2H3
InChIKeyIQAJAFCMMLONJT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.42
Rot. Bonds1

About (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone

(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone (PubChem CID 3794817) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone
PubChem CID3794817
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2c3ccccc3OCC2C)cc1
InChIInChI=1S/C17H17NO2/c1-12-7-9-14(10-8-12)17(19)18-13(2)11-20-16-6-4-3-5-15(16)18/h3-10,13H,11H2,1-2H3
InChIKeyIQAJAFCMMLONJT-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone (CID 3794817) is (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2c3ccccc3OCC2C)cc1.
What is the InChIKey of (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone?
The InChIKey is IQAJAFCMMLONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-7-9-14(10-8-12)17(19)18-13(2)11-20-16-6-4-3-5-15(16)18/h3-10,13H,11H2,1-2H3.
What are the key properties of (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone?
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 3794817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).