8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione

C17H14BrNO4 — CID 18802671

IUPAC8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione
SMILESCc1cc(Br)c2c(c1)c(=O)oc(=O)n2CCOc1ccccc1
InChIInChI=1S/C17H14BrNO4/c1-11-9-13-15(14(18)10-11)19(17(21)23-16(13)20)7-8-22-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyUMAKVJMGOALMDK-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.10
Rot. Bonds4

About 8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione

8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione (PubChem CID 18802671) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is 8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione
PubChem CID18802671
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Name8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione
SMILESCc1cc(Br)c2c(c1)c(=O)oc(=O)n2CCOc1ccccc1
InChIInChI=1S/C17H14BrNO4/c1-11-9-13-15(14(18)10-11)19(17(21)23-16(13)20)7-8-22-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyUMAKVJMGOALMDK-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione (CID 18802671) is 8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione is Cc1cc(Br)c2c(c1)c(=O)oc(=O)n2CCOc1ccccc1.
What is the InChIKey of 8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione?
The InChIKey is UMAKVJMGOALMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c1-11-9-13-15(14(18)10-11)19(17(21)23-16(13)20)7-8-22-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione?
8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione has a molecular weight of 376.21 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 18802671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).