9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine

C18H15NO3 — CID 59573030

IUPAC9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine
SMILESCOc1cc(C)ccc1N1c2ccccc2Oc2ccoc21
InChIInChI=1S/C18H15NO3/c1-12-7-8-14(17(11-12)20-2)19-13-5-3-4-6-15(13)22-16-9-10-21-18(16)19/h3-11H,1-2H3
InChIKeyHEYXPYCZBVLJCR-UHFFFAOYSA-N
MW293.32 g/mol
LogP5.17
Rot. Bonds2

About 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine

9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine (PubChem CID 59573030) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine
PubChem CID59573030
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine
SMILESCOc1cc(C)ccc1N1c2ccccc2Oc2ccoc21
InChIInChI=1S/C18H15NO3/c1-12-7-8-14(17(11-12)20-2)19-13-5-3-4-6-15(13)22-16-9-10-21-18(16)19/h3-11H,1-2H3
InChIKeyHEYXPYCZBVLJCR-UHFFFAOYSA-N
XLogP5.17
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-methoxy-4-methylphenyl)-4H-furo[2,3-b]quinoline
CID 59572224
10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572260
9-(2-Methoxy-4-methylphenyl)furo[3,2-b][1,4]benzothiazine
CID 59572270
9-(4-Tert-butyl-2,6-dimethylphenyl)-3,6-dimethylfuro[3,4-b][1,4]benzoxazine
CID 59572292
9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)furo[3,2-b][1,4]benzoselenazine
CID 59572317
9-(2,4,6-Trimethylphenyl)furo[3,4-b][1,4]benzoxazine
CID 59572366
6-(2-Methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572372
9-(4-Methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
CID 59572375
2,9-Dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572379
9-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-b][1,4]benzoxazine
CID 59572399
2-Methyl-6-(2-methylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572400
2,6-Dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine
CID 59572422

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine?
The IUPAC name of 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine (CID 59573030) is 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine?
The canonical SMILES for 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine is COc1cc(C)ccc1N1c2ccccc2Oc2ccoc21.
What is the InChIKey of 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine?
The InChIKey is HEYXPYCZBVLJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-7-8-14(17(11-12)20-2)19-13-5-3-4-6-15(13)22-16-9-10-21-18(16)19/h3-11H,1-2H3.
What are the key properties of 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine?
9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine has a molecular weight of 293.32 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59573030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).