3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one

C15H13NO4 — CID 68685441

IUPAC3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one
SMILESCOc1ccc2c(c1)OC(=O)N(c1ccc(O)cc1)C2
InChIInChI=1S/C15H13NO4/c1-19-13-7-2-10-9-16(15(18)20-14(10)8-13)11-3-5-12(17)6-4-11/h2-8,17H,9H2,1H3
InChIKeyXHQUDHNMFAUGFT-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.92
Rot. Bonds2

About 3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one

3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one (PubChem CID 68685441) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one
PubChem CID68685441
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one
SMILESCOc1ccc2c(c1)OC(=O)N(c1ccc(O)cc1)C2
InChIInChI=1S/C15H13NO4/c1-19-13-7-2-10-9-16(15(18)20-14(10)8-13)11-3-5-12(17)6-4-11/h2-8,17H,9H2,1H3
InChIKeyXHQUDHNMFAUGFT-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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Related Compounds

7-aminosulfanyloxy-3-(4-hydroxyphenyl)-4H-1,3-benzoxazin-2-one
CID 87432410
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
6,11-dihydroxy-12-(4-methoxyphenyl)-13H-naphtho[6,7-b][1,4]benzoxazepine-7,10-dione
CID 174060915
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
3,4-dihydroxy-7-methoxy-3H-1,4-benzoxazin-2-one
CID 71333801
3-chloro-9-methoxy-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid
CID 19102555
7-chloro-4-(4-methoxyphenyl)-5H-1,4-benzoxazepin-3-one
CID 53152482
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one
CID 102208245
1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 79515540
N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide
CID 177371591
methane;4-methoxyphenol
CID 159494332

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one (CID 68685441) is 3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one is COc1ccc2c(c1)OC(=O)N(c1ccc(O)cc1)C2.
What is the InChIKey of 3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one?
The InChIKey is XHQUDHNMFAUGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-13-7-2-10-9-16(15(18)20-14(10)8-13)11-3-5-12(17)6-4-11/h2-8,17H,9H2,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one?
3-(4-hydroxyphenyl)-7-methoxy-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 3-(4-hydroxyphenyl)-7-methoxy-4H-1,3-benzoxazin-2-one is sourced from PubChem (CID 68685441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).