6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one

C14H11NO3 — CID 155524143

IUPAC6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3ccc(O)cc3)cc2N1
InChIInChI=1S/C14H11NO3/c16-11-4-1-9(2-5-11)10-3-6-13-12(7-10)15-14(17)8-18-13/h1-7,16H,8H2,(H,15,17)
InChIKeySXIKJXXVQJVRAR-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.39
Rot. Bonds1

About 6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one

6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one (PubChem CID 155524143) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
PubChem CID155524143
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3ccc(O)cc3)cc2N1
InChIInChI=1S/C14H11NO3/c16-11-4-1-9(2-5-11)10-3-6-13-12(7-10)15-14(17)8-18-13/h1-7,16H,8H2,(H,15,17)
InChIKeySXIKJXXVQJVRAR-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one (CID 155524143) is 6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(-c3ccc(O)cc3)cc2N1.
What is the InChIKey of 6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is SXIKJXXVQJVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-11-4-1-9(2-5-11)10-3-6-13-12(7-10)15-14(17)8-18-13/h1-7,16H,8H2,(H,15,17).
What are the key properties of 6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one?
6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 241.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 155524143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).