6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine

C22H17NO3 — CID 59572372

IUPAC6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine
SMILESCOc1ccccc1N1c2ccccc2Oc2c1oc1ccc(C)cc21
InChIInChI=1S/C22H17NO3/c1-14-11-12-18-15(13-14)21-22(26-18)23(16-7-3-5-9-19(16)24-2)17-8-4-6-10-20(17)25-21/h3-13H,1-2H3
InChIKeyRVTAFPHNFFNVGQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP6.33
Rot. Bonds2

About 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine

6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine (PubChem CID 59572372) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine
PubChem CID59572372
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine
SMILESCOc1ccccc1N1c2ccccc2Oc2c1oc1ccc(C)cc21
InChIInChI=1S/C22H17NO3/c1-14-11-12-18-15(13-14)21-22(26-18)23(16-7-3-5-9-19(16)24-2)17-8-4-6-10-20(17)25-21/h3-13H,1-2H3
InChIKeyRVTAFPHNFFNVGQ-UHFFFAOYSA-N
XLogP6.33
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-Methoxyphenyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 72169985
8-(2,4-Dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 72171665
(Z)-8-(2-methoxyphenyl)-2-(3,4,5-trimethoxybenzylidene)-8,9-dihydro-2H-benzofuro[7,6-e][1,3]oxazin-3(7H)-one
CID 17603528
(2Z)-2-(2,3-dimethoxybenzylidene)-8-(2,4-dimethoxyphenyl)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one
CID 17601001
(Z)-2-(3,4-dimethoxybenzylidene)-8-(2,4-dimethoxyphenyl)-8,9-dihydro-2H-benzofuro[7,6-e][1,3]oxazin-3(7H)-one
CID 17603275
2-(2,3-Dihydro-1,4-benzoxazin-4-yl)-3-methyl-1-benzofuran-5-carbaldehyde
CID 54032671
5-(4-Tert-butyl-2,6-dimethylphenyl)-2,9-dimethyl-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one
CID 59572265
2-(3,4-dihydro-2H-chromen-8-yl)-6,15-dimethyl-19-oxa-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3(8),4,6,13(18),14,16-heptaene
CID 59572275
9-(4-Methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
CID 59572375
2-methyl-10-(2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572376
2,9-Dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572379
6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
CID 59572396

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine?
The IUPAC name of 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine (CID 59572372) is 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine?
The canonical SMILES for 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine is COc1ccccc1N1c2ccccc2Oc2c1oc1ccc(C)cc21.
What is the InChIKey of 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine?
The InChIKey is RVTAFPHNFFNVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-14-11-12-18-15(13-14)21-22(26-18)23(16-7-3-5-9-19(16)24-2)17-8-4-6-10-20(17)25-21/h3-13H,1-2H3.
What are the key properties of 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine?
6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine has a molecular weight of 343.38 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).