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

C16H15NO4 — CID 82228731

IUPAC6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccccc1CC1Oc2ccc(O)cc2NC1=O
InChIInChI=1S/C16H15NO4/c1-20-13-5-3-2-4-10(13)8-15-16(19)17-12-9-11(18)6-7-14(12)21-15/h2-7,9,15,18H,8H2,1H3,(H,17,19)
InChIKeyWVLODBHFPKGEHQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.34
Rot. Bonds3

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

6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 82228731) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID82228731
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccccc1CC1Oc2ccc(O)cc2NC1=O
InChIInChI=1S/C16H15NO4/c1-20-13-5-3-2-4-10(13)8-15-16(19)17-12-9-11(18)6-7-14(12)21-15/h2-7,9,15,18H,8H2,1H3,(H,17,19)
InChIKeyWVLODBHFPKGEHQ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide
CID 132766155
2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-4H-1,4-benzoxazin-3-one
CID 82228664
5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one
CID 11808207
7-hydroxy-2-[(2-methoxyphenyl)methyl]-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 82229404
6-amino-2-[(2,3-dichlorophenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228611
2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229238
6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 129087851
6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 82229249
(4R,5S)-5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10705020
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 8700810
ethane;2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 90923836
3-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 104679153

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one (CID 82228731) is 6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one is COc1ccccc1CC1Oc2ccc(O)cc2NC1=O.
What is the InChIKey of 6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is WVLODBHFPKGEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-20-13-5-3-2-4-10(13)8-15-16(19)17-12-9-11(18)6-7-14(12)21-15/h2-7,9,15,18H,8H2,1H3,(H,17,19).
What are the key properties of 6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one?
6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 285.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82228731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).