5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline

C204H244N12O18S7 — CID 157258951

IUPAC5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline
SMILESCc1ccc2c(c1)CCCN2.Cc1ccc2c(c1)CCCS2(=O)=O.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CCNC2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)CNC2.Cc1ccc2c(c1)COC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(c1)NCCC2.Cc1ccc2c(c1)NCCN2.Cc1ccc2c(c1)NCCO2.Cc1ccc2c(c1)NCCS2.Cc1ccc2c(c1)NCCS2(=O)=O.Cc1ccc2c(c1)OCC2.Cc1ccc2c(c1)OCCC2.Cc1ccc2c(c1)OCCN2.Cc1ccc2c(c1)OCCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1)S(=O)(=O)CC2.Cc1ccc2c(c1)S(=O)(=O)CCC2.Cc1ccc2c(c1)SCC2.Cc1ccc2c(c1)SCCC2
InChIInChI=1S/3C10H13N.2C10H12O2S.C10H12O.C10H12S.C9H12N2.C9H11NO2S.2C9H11NO.C9H11NS.3C9H11N.C9H10O2S.C9H10O2.3C9H10O.C9H10S.C8H8O2/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-4-5-10-9(7-8)3-2-6-13(10,11)12;1-8-4-5-9-3-2-6-13(11,12)10(9)7-8;2*1-8-4-5-9-3-2-6-11-10(9)7-8;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)10-4-5-13(9,11)12;1-7-2-3-9-8(6-7)10-4-5-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)10-4-5-11-9;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-4-5-12(10,11)9(8)6-7;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-7-8(4-6)10-5-9-7/h2-3,6,11H,4-5,7H2,1H3;2*4-5,7,11H,2-3,6H2,1H3;2*4-5,7H,2-3,6H2,1H3;2*4-5,7H,2-3,6H2,1H3;2-3,6,10-11H,4-5H2,1H3;2-3,6,10H,4-5H2,1H3;3*2-3,6,10H,4-5H2,1H3;2-4,10H,5-6H2,1H3;2*2-3,6,10H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2-4H,5-6H2,1H3;3*2-3,6H,4-5H2,1H3;2-4H,5H2,1H3
InChIKeyAXFPTMWXMQBQGA-UHFFFAOYSA-N
MW3376.73 g/mol
LogP43.14
Rot. Bonds

About 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline

5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 157258951) has the molecular formula C204H244N12O18S7 and a molecular weight of 3376.73 g/mol. Its IUPAC name is 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID157258951
Molecular FormulaC204H244N12O18S7
Molecular Weight3376.73 g/mol
Exact Mass3373.66
IUPAC Name5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline
SMILESCc1ccc2c(c1)CCCN2.Cc1ccc2c(c1)CCCS2(=O)=O.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CCNC2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)CNC2.Cc1ccc2c(c1)COC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(c1)NCCC2.Cc1ccc2c(c1)NCCN2.Cc1ccc2c(c1)NCCO2.Cc1ccc2c(c1)NCCS2.Cc1ccc2c(c1)NCCS2(=O)=O.Cc1ccc2c(c1)OCC2.Cc1ccc2c(c1)OCCC2.Cc1ccc2c(c1)OCCN2.Cc1ccc2c(c1)OCCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1)S(=O)(=O)CC2.Cc1ccc2c(c1)S(=O)(=O)CCC2.Cc1ccc2c(c1)SCC2.Cc1ccc2c(c1)SCCC2
InChIInChI=1S/3C10H13N.2C10H12O2S.C10H12O.C10H12S.C9H12N2.C9H11NO2S.2C9H11NO.C9H11NS.3C9H11N.C9H10O2S.C9H10O2.3C9H10O.C9H10S.C8H8O2/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-4-5-10-9(7-8)3-2-6-13(10,11)12;1-8-4-5-9-3-2-6-13(11,12)10(9)7-8;2*1-8-4-5-9-3-2-6-11-10(9)7-8;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)10-4-5-13(9,11)12;1-7-2-3-9-8(6-7)10-4-5-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)10-4-5-11-9;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-4-5-12(10,11)9(8)6-7;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-7-8(4-6)10-5-9-7/h2-3,6,11H,4-5,7H2,1H3;2*4-5,7,11H,2-3,6H2,1H3;2*4-5,7H,2-3,6H2,1H3;2*4-5,7H,2-3,6H2,1H3;2-3,6,10-11H,4-5H2,1H3;2-3,6,10H,4-5H2,1H3;3*2-3,6,10H,4-5H2,1H3;2-4,10H,5-6H2,1H3;2*2-3,6,10H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2-4H,5-6H2,1H3;3*2-3,6H,4-5H2,1H3;2-4H,5H2,1H3
InChIKeyAXFPTMWXMQBQGA-UHFFFAOYSA-N
XLogP43.14
TPSA373.22 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003376.73
LogP ≤ 543.14
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline (CID 157258951) is 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline is Cc1ccc2c(c1)CCCN2.Cc1ccc2c(c1)CCCS2(=O)=O.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CCNC2.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)CNC2.Cc1ccc2c(c1)COC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(c1)NCCC2.Cc1ccc2c(c1)NCCN2.Cc1ccc2c(c1)NCCO2.Cc1ccc2c(c1)NCCS2.Cc1ccc2c(c1)NCCS2(=O)=O.Cc1ccc2c(c1)OCC2.Cc1ccc2c(c1)OCCC2.Cc1ccc2c(c1)OCCN2.Cc1ccc2c(c1)OCCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1)S(=O)(=O)CC2.Cc1ccc2c(c1)S(=O)(=O)CCC2.Cc1ccc2c(c1)SCC2.Cc1ccc2c(c1)SCCC2.
What is the InChIKey of 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is AXFPTMWXMQBQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13N.2C10H12O2S.C10H12O.C10H12S.C9H12N2.C9H11NO2S.2C9H11NO.C9H11NS.3C9H11N.C9H10O2S.C9H10O2.3C9H10O.C9H10S.C8H8O2/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-4-5-10-9(7-8)3-2-6-13(10,11)12;1-8-4-5-9-3-2-6-13(11,12)10(9)7-8;2*1-8-4-5-9-3-2-6-11-10(9)7-8;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)10-4-5-13(9,11)12;1-7-2-3-9-8(6-7)10-4-5-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-9-8(6-7)10-4-5-11-9;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-8-4-5-12(10,11)9(8)6-7;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-7-8(4-6)10-5-9-7/h2-3,6,11H,4-5,7H2,1H3;2*4-5,7,11H,2-3,6H2,1H3;2*4-5,7H,2-3,6H2,1H3;2*4-5,7H,2-3,6H2,1H3;2-3,6,10-11H,4-5H2,1H3;2-3,6,10H,4-5H2,1H3;3*2-3,6,10H,4-5H2,1H3;2-4,10H,5-6H2,1H3;2*2-3,6,10H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3;2-4H,5-6H2,1H3;3*2-3,6H,4-5H2,1H3;2-4H,5H2,1H3.
What are the key properties of 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline?
5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 3376.73 g/mol, XLogP of 43.14, 0 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-benzodioxole;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-1,4-benzothiazine;6-methyl-2,3-dihydro-1-benzothiophene;6-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide;6-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-1,4-benzoxazine;7-methyl-3,4-dihydro-2H-chromene;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindole;6-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;7-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-methyl-1,2,3,4-tetrahydroisoquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 157258951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).