2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one

C20H15NO4 — CID 28689

💊View drug profile → bisoxatin
IUPAC2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2ccccc2OC1(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24)
InChIKeyBPKUDUSVDVLOPY-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.37
Rot. Bonds2

About 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one

2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one (PubChem CID 28689) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
PubChem CID28689
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2ccccc2OC1(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24)
InChIKeyBPKUDUSVDVLOPY-UHFFFAOYSA-N
XLogP3.37
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Bisoxatin Acetate
CID 26391
4-Hydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
CID 23843957
6-(4-Hydroxyphenyl)-4-(4-methoxyphenyl)-1,4-benzoxazin-3-one
CID 148093822
6-(4-Hydroxyphenyl)-4-phenyl-1,4-benzoxazin-3-one
CID 148493390
6-(4-Hydroxyphenyl)-4-(4-methylphenyl)-1,4-benzoxazin-3-one
CID 148551789
4-(4-Fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one
CID 149296008
6-(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one
CID 155524143
[2-(2-Ethoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate
CID 4875105
2-(biphenyl-4-yloxy)-N-(2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
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2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]-N-(4-phenylphenyl)acetamide
CID 71570216
Quinolinone A
CID 25768656
6-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one
CID 7503875

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one (CID 28689) is 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one is O=C1Nc2ccccc2OC1(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is BPKUDUSVDVLOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24).
What are the key properties of 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one?
2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 333.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-hydroxyphenyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 28689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).