6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one

C16H15NO4 — CID 61082603

IUPAC6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccccc1C(O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H15NO4/c1-20-13-5-3-2-4-11(13)16(19)10-6-7-14-12(8-10)17-15(18)9-21-14/h2-8,16,19H,9H2,1H3,(H,17,18)
InChIKeyBMJFOYSZBXPHTI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.11
Rot. Bonds3

About 6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one

6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 61082603) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID61082603
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccccc1C(O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H15NO4/c1-20-13-5-3-2-4-11(13)16(19)10-6-7-14-12(8-10)17-15(18)9-21-14/h2-8,16,19H,9H2,1H3,(H,17,18)
InChIKeyBMJFOYSZBXPHTI-UHFFFAOYSA-N
XLogP2.11
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[chloro-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61084622
6-[hydroxy-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082397
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
6-[(3,5-dichlorophenyl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 61082606
6-[chloro-(2-methylphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61084623
6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 79096366
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol
CID 107294004
6-[chloro-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61084415
6-[hydroxy(1H-pyrazol-5-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 114992868
6-[(5-bromothiophen-3-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 107964195
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one (CID 61082603) is 6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one is COc1ccccc1C(O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is BMJFOYSZBXPHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-13-5-3-2-4-11(13)16(19)10-6-7-14-12(8-10)17-15(18)9-21-14/h2-8,16,19H,9H2,1H3,(H,17,18).
What are the key properties of 6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one?
6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 285.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 61082603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).