9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine

C19H17NO4 — CID 59572701

IUPAC9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2Oc2ccoc21
InChIInChI=1S/C19H17NO4/c1-12-10-16(21-2)18(17(11-12)22-3)20-13-6-4-5-7-14(13)24-15-8-9-23-19(15)20/h4-11H,1-3H3
InChIKeyVTUCXSSHHFYLIO-UHFFFAOYSA-N
MW323.35 g/mol
LogP5.18
Rot. Bonds3

About 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine

9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine (PubChem CID 59572701) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine
PubChem CID59572701
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2Oc2ccoc21
InChIInChI=1S/C19H17NO4/c1-12-10-16(21-2)18(17(11-12)22-3)20-13-6-4-5-7-14(13)24-15-8-9-23-19(15)20/h4-11H,1-3H3
InChIKeyVTUCXSSHHFYLIO-UHFFFAOYSA-N
XLogP5.18
TPSA44.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.35
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2,4,6-Trimethylphenyl)furo[3,4-b][1,4]benzoxazine
CID 59572366
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
2,6-Dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine
CID 59572422
10-(2-Methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
CID 59572448
2,6-Dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
CID 59572516
5-(2,6-dimethoxy-4-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59572543
10-(2,6-Dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine
CID 59572595
10-(2,6-Dimethoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
CID 59572643
9-(2-Methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine
CID 59572699
2,6-Dimethyl-9-(2,4,6-trimethylphenyl)furo[3,2-b][1,4]benzoxazine
CID 59572813

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine?
The IUPAC name of 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine (CID 59572701) is 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine?
The canonical SMILES for 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine is COc1cc(C)cc(OC)c1N1c2ccccc2Oc2ccoc21.
What is the InChIKey of 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine?
The InChIKey is VTUCXSSHHFYLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-10-16(21-2)18(17(11-12)22-3)20-13-6-4-5-7-14(13)24-15-8-9-23-19(15)20/h4-11H,1-3H3.
What are the key properties of 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine?
9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine has a molecular weight of 323.35 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dimethoxy-4-methylphenyl)furo[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).