3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine

C17H17NO2 — CID 115825727

IUPAC3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
SMILESCOc1ccc2c(c1)C1Oc3c(C)cccc3NC1C2
InChIInChI=1S/C17H17NO2/c1-10-4-3-5-14-16(10)20-17-13-9-12(19-2)7-6-11(13)8-15(17)18-14/h3-7,9,15,17-18H,8H2,1-2H3
InChIKeyMYVKCACQZVCILJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.47
Rot. Bonds1

About 3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine

3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine (PubChem CID 115825727) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
PubChem CID115825727
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
SMILESCOc1ccc2c(c1)C1Oc3c(C)cccc3NC1C2
InChIInChI=1S/C17H17NO2/c1-10-4-3-5-14-16(10)20-17-13-9-12(19-2)7-6-11(13)8-15(17)18-14/h3-7,9,15,17-18H,8H2,1-2H3
InChIKeyMYVKCACQZVCILJ-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-methoxy-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 115825652
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501
2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
CID 114287478
(5aS,10bS)-9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole;(5aS,10bS)-9-propan-2-yl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 70355656
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510
1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688198
2-(2-fluoro-3-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 107660304
8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 54445831
(2S,7S)-14-methoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
CID 3068861
2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
CID 4046261
(3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 92598631
1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79725548

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
The IUPAC name of 3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine (CID 115825727) is 3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine.
What is the SMILES notation for 3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
The canonical SMILES for 3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine is COc1ccc2c(c1)C1Oc3c(C)cccc3NC1C2.
What is the InChIKey of 3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
The InChIKey is MYVKCACQZVCILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-10-4-3-5-14-16(10)20-17-13-9-12(19-2)7-6-11(13)8-15(17)18-14/h3-7,9,15,17-18H,8H2,1-2H3.
What are the key properties of 3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine has a molecular weight of 267.33 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine is sourced from PubChem (CID 115825727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).