2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one

C17H17NO3 — CID 6489098

IUPAC2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCC(C)Oc1ccc(C2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C17H17NO3/c1-11(2)20-13-9-7-12(8-10-13)17-18-16(19)14-5-3-4-6-15(14)21-17/h3-11,17H,1-2H3,(H,18,19)
InChIKeyPDFYKGIKXMWZHP-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.29
Rot. Bonds3

About 2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one

2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 6489098) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID6489098
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCC(C)Oc1ccc(C2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C17H17NO3/c1-11(2)20-13-9-7-12(8-10-13)17-18-16(19)14-5-3-4-6-15(14)21-17/h3-11,17H,1-2H3,(H,18,19)
InChIKeyPDFYKGIKXMWZHP-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 6489098) is 2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is CC(C)Oc1ccc(C2NC(=O)c3ccccc3O2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is PDFYKGIKXMWZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11(2)20-13-9-7-12(8-10-13)17-18-16(19)14-5-3-4-6-15(14)21-17/h3-11,17H,1-2H3,(H,18,19).
What are the key properties of 2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 283.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 6489098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).