2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one

C16H13NO3 — CID 11149809

IUPAC2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one
SMILESCOc1ccccc1-c1nc2c(C)cccc2c(=O)o1
InChIInChI=1S/C16H13NO3/c1-10-6-5-8-12-14(10)17-15(20-16(12)18)11-7-3-4-9-13(11)19-2/h3-9H,1-2H3
InChIKeyHBPFUEKVNNHYGE-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.17
Rot. Bonds2

About 2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one

2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one (PubChem CID 11149809) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one
PubChem CID11149809
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one
SMILESCOc1ccccc1-c1nc2c(C)cccc2c(=O)o1
InChIInChI=1S/C16H13NO3/c1-10-6-5-8-12-14(10)17-15(20-16(12)18)11-7-3-4-9-13(11)19-2/h3-9H,1-2H3
InChIKeyHBPFUEKVNNHYGE-UHFFFAOYSA-N
XLogP3.17
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one (CID 11149809) is 2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one is COc1ccccc1-c1nc2c(C)cccc2c(=O)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one?
The InChIKey is HBPFUEKVNNHYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-6-5-8-12-14(10)17-15(20-16(12)18)11-7-3-4-9-13(11)19-2/h3-9H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one?
2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one has a molecular weight of 267.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 11149809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).