1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline

C319H478N20O16S12 — CID 160684766

IUPAC1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=O.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCN2.c1cc2c(cn1)NCCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2.c1ncc2c(n1)CCCC2
InChIInChI=1S/C11H14.2C10H13N.4C9H11N.2C9H10O2S.2C9H10OS.2C9H10O.2C9H10S.7C8H10N2.C8H8O2S.2C8H8OS.2C8H8O.3C8H8S.30C2H6.O2/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-5-7-3-1-2-4-8(7)6-10;9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;31*1-2/h4-5,8-9H,1-3,6-7H2;1-2,5,7,11H,3-4,6,8H2;1-2,4-5,11H,3,6-8H2;2*3,5,7H,1-2,4,6H2;2*5-7H,1-4H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);2*3,5-6,10H,1-2,4H2;3*5-6H,1-4H2;1-4H,5-6H2;2*1-4H,5-6H2;5*1-4H,5-6H2;30*1-2H3;
InChIKeyROPPNEOGTJEKGL-UHFFFAOYSA-N
MW5234.26 g/mol
LogP84.76
Rot. Bonds

About 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline

1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline (PubChem CID 160684766) has the molecular formula C319H478N20O16S12 and a molecular weight of 5234.26 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
PubChem CID160684766
Molecular FormulaC319H478N20O16S12
Molecular Weight5234.26 g/mol
Exact Mass5229.39
IUPAC Name1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=O.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCN2.c1cc2c(cn1)NCCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2.c1ncc2c(n1)CCCC2
InChIInChI=1S/C11H14.2C10H13N.4C9H11N.2C9H10O2S.2C9H10OS.2C9H10O.2C9H10S.7C8H10N2.C8H8O2S.2C8H8OS.2C8H8O.3C8H8S.30C2H6.O2/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-5-7-3-1-2-4-8(7)6-10;9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;31*1-2/h4-5,8-9H,1-3,6-7H2;1-2,5,7,11H,3-4,6,8H2;1-2,4-5,11H,3,6-8H2;2*3,5,7H,1-2,4,6H2;2*5-7H,1-4H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);2*3,5-6,10H,1-2,4H2;3*5-6H,1-4H2;1-4H,5-6H2;2*1-4H,5-6H2;5*1-4H,5-6H2;30*1-2H3;
InChIKeyROPPNEOGTJEKGL-UHFFFAOYSA-N
XLogP84.76
TPSA494.40 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds
Heavy Atoms367
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005234.26
LogP ≤ 584.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Analyze 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline (CID 160684766) is 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=O.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCN2.c1cc2c(cn1)NCCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2.c1ncc2c(n1)CCCC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
The InChIKey is ROPPNEOGTJEKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.2C10H13N.4C9H11N.2C9H10O2S.2C9H10OS.2C9H10O.2C9H10S.7C8H10N2.C8H8O2S.2C8H8OS.2C8H8O.3C8H8S.30C2H6.O2/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-5-7-3-1-2-4-8(7)6-10;9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;31*1-2/h4-5,8-9H,1-3,6-7H2;1-2,5,7,11H,3-4,6,8H2;1-2,4-5,11H,3,6-8H2;2*3,5,7H,1-2,4,6H2;2*5-7H,1-4H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);2*3,5-6,10H,1-2,4H2;3*5-6H,1-4H2;1-4H,5-6H2;2*1-4H,5-6H2;5*1-4H,5-6H2;30*1-2H3;.
What are the key properties of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline has a molecular weight of 5234.26 g/mol, XLogP of 84.76, 0 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;bis(1,3-dihydro-2-benzothiophene);2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;molecular oxygen;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;6,7,8,9-tetrahydro-5H-benzo[7]annulene;5,6,7,8-tetrahydrocinnoline;bis(5,6,7,8-tetrahydroisoquinoline);1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydro-1,7-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 160684766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).