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

C17H17NO2 — CID 5044994

IUPAC2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCC(C)c1ccc(C2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C17H17NO2/c1-11(2)12-7-9-13(10-8-12)17-18-16(19)14-5-3-4-6-15(14)20-17/h3-11,17H,1-2H3,(H,18,19)
InChIKeyIKOASUBKEHYLLI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.63
Rot. Bonds2

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

2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 5044994) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID5044994
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCC(C)c1ccc(C2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C17H17NO2/c1-11(2)12-7-9-13(10-8-12)17-18-16(19)14-5-3-4-6-15(14)20-17/h3-11,17H,1-2H3,(H,18,19)
InChIKeyIKOASUBKEHYLLI-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 5044994) is 2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is CC(C)c1ccc(C2NC(=O)c3ccccc3O2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is IKOASUBKEHYLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11(2)12-7-9-13(10-8-12)17-18-16(19)14-5-3-4-6-15(14)20-17/h3-11,17H,1-2H3,(H,18,19).
What are the key properties of 2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 267.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 5044994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).