7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one

C15H13NO4 — CID 11492761

IUPAC7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one
SMILESCOc1ccc(N2Cc3ccc(O)cc3OC2=O)cc1
InChIInChI=1S/C15H13NO4/c1-19-13-6-3-11(4-7-13)16-9-10-2-5-12(17)8-14(10)20-15(16)18/h2-8,17H,9H2,1H3
InChIKeyIBMJKJJMRYHRNQ-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.92
Rot. Bonds2

About 7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one

7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one (PubChem CID 11492761) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one
PubChem CID11492761
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one
SMILESCOc1ccc(N2Cc3ccc(O)cc3OC2=O)cc1
InChIInChI=1S/C15H13NO4/c1-19-13-6-3-11(4-7-13)16-9-10-2-5-12(17)8-14(10)20-15(16)18/h2-8,17H,9H2,1H3
InChIKeyIBMJKJJMRYHRNQ-UHFFFAOYSA-N
XLogP2.92
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one?
The IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one (CID 11492761) is 7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one.
What is the SMILES notation for 7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one?
The canonical SMILES for 7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one is COc1ccc(N2Cc3ccc(O)cc3OC2=O)cc1.
What is the InChIKey of 7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one?
The InChIKey is IBMJKJJMRYHRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-13-6-3-11(4-7-13)16-9-10-2-5-12(17)8-14(10)20-15(16)18/h2-8,17H,9H2,1H3.
What are the key properties of 7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one?
7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one has a molecular weight of 271.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-methoxyphenyl)-4H-1,3-benzoxazin-2-one is sourced from PubChem (CID 11492761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).