(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C17H17NO3 — CID 110639161

IUPAC(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOc3ccc(C)cc32)cc1
InChIInChI=1S/C17H17NO3/c1-12-3-8-16-15(11-12)18(9-10-21-16)17(19)13-4-6-14(20-2)7-5-13/h3-8,11H,9-10H2,1-2H3
InChIKeyCOZSBUJRMUZQNR-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds2

About (4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 110639161) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID110639161
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOc3ccc(C)cc32)cc1
InChIInChI=1S/C17H17NO3/c1-12-3-8-16-15(11-12)18(9-10-21-16)17(19)13-4-6-14(20-2)7-5-13/h3-8,11H,9-10H2,1-2H3
InChIKeyCOZSBUJRMUZQNR-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 110639161) is (4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is COc1ccc(C(=O)N2CCOc3ccc(C)cc32)cc1.
What is the InChIKey of (4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is COZSBUJRMUZQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-3-8-16-15(11-12)18(9-10-21-16)17(19)13-4-6-14(20-2)7-5-13/h3-8,11H,9-10H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 110639161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).