9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine

C19H17NO3 — CID 59572699

IUPAC9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine
SMILESCOc1ccccc1N1c2ccc(C)cc2Oc2cc(C)oc21
InChIInChI=1S/C19H17NO3/c1-12-8-9-15-17(10-12)23-18-11-13(2)22-19(18)20(15)14-6-4-5-7-16(14)21-3/h4-11H,1-3H3
InChIKeyXGQKLRHTYPNCIU-UHFFFAOYSA-N
MW307.35 g/mol
LogP5.48
Rot. Bonds2

About 9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine

9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine (PubChem CID 59572699) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine
PubChem CID59572699
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine
SMILESCOc1ccccc1N1c2ccc(C)cc2Oc2cc(C)oc21
InChIInChI=1S/C19H17NO3/c1-12-8-9-15-17(10-12)23-18-11-13(2)22-19(18)20(15)14-6-4-5-7-16(14)21-3/h4-11H,1-3H3
InChIKeyXGQKLRHTYPNCIU-UHFFFAOYSA-N
XLogP5.48
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.35
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine?
The IUPAC name of 9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine (CID 59572699) is 9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine?
The canonical SMILES for 9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine is COc1ccccc1N1c2ccc(C)cc2Oc2cc(C)oc21.
What is the InChIKey of 9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine?
The InChIKey is XGQKLRHTYPNCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-8-9-15-17(10-12)23-18-11-13(2)22-19(18)20(15)14-6-4-5-7-16(14)21-3/h4-11H,1-3H3.
What are the key properties of 9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine?
9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine has a molecular weight of 307.35 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyphenyl)-2,6-dimethylfuro[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).