4-methoxy-4H-1,2-benzoxazine

C9H9NO2 — CID 89427789

IUPAC4-methoxy-4H-1,2-benzoxazine
SMILESCOC1C=NOc2ccccc21
InChIInChI=1S/C9H9NO2/c1-11-9-6-10-12-8-5-3-2-4-7(8)9/h2-6,9H,1H3
InChIKeyMAWJOOCIZNPBGE-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.75
Rot. Bonds1

About 4-methoxy-4H-1,2-benzoxazine

4-methoxy-4H-1,2-benzoxazine (PubChem CID 89427789) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-methoxy-4H-1,2-benzoxazine.

Molecular Properties

Compound Name4-methoxy-4H-1,2-benzoxazine
PubChem CID89427789
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-methoxy-4H-1,2-benzoxazine
SMILESCOC1C=NOc2ccccc21
InChIInChI=1S/C9H9NO2/c1-11-9-6-10-12-8-5-3-2-4-7(8)9/h2-6,9H,1H3
InChIKeyMAWJOOCIZNPBGE-UHFFFAOYSA-N
XLogP1.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 67469645
CID 67469645
2-(2-methoxyphenyl)-2H-1,4-benzoxazine
CID 22752537
(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
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methyl (4R)-4-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-4H-1,2-benzoxazine-3-carboxylate
CID 10880448
1-ethyl-4-methoxy-1,4-dihydronaphthalene
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methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
methyl 2-(9H-xanthen-9-yl)benzoate
CID 19816670
(2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene
CID 101362429
dimethyl 1,4-dihydro-2,3-benzodithiine-1,4-dicarboxylate
CID 134890371
methyl (2S,3S)-3-amino-2,3-dihydro-1-benzofuran-2-carboxylate;hydrochloride
CID 159601219
(3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole
CID 51860458

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4H-1,2-benzoxazine?
The IUPAC name of 4-methoxy-4H-1,2-benzoxazine (CID 89427789) is 4-methoxy-4H-1,2-benzoxazine.
What is the SMILES notation for 4-methoxy-4H-1,2-benzoxazine?
The canonical SMILES for 4-methoxy-4H-1,2-benzoxazine is COC1C=NOc2ccccc21.
What is the InChIKey of 4-methoxy-4H-1,2-benzoxazine?
The InChIKey is MAWJOOCIZNPBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-11-9-6-10-12-8-5-3-2-4-7(8)9/h2-6,9H,1H3.
What are the key properties of 4-methoxy-4H-1,2-benzoxazine?
4-methoxy-4H-1,2-benzoxazine has a molecular weight of 163.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4H-1,2-benzoxazine is sourced from PubChem (CID 89427789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).