1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline

C319H478N26O14S11 — CID 158113751

IUPAC1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;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.CC.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCN2.c1cc2c(cn1)CCN2.c1cc2c(cn1)NCC2.c1cc2c(cn1)NNCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)NCC2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2.c1ncc2c(n1)CCCC2
InChIInChI=1S/4C9H11N.2C9H10O2S.2C9H10OS.2C9H10O.2C9H10S.C9H10.6C8H10N2.C8H9N.C8H8O2S.2C8H8OS.2C8H8O.2C8H8S.C7H9N3.3C7H8N2.31C2H6/c2*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;1-2-5-9-7-3-6-8(9)4-1;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;1-2-4-8-7(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;1-2-7-4-5-9-6-8(7)3-1;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;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-10-7;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;31*1-2/h2*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;1-2,4-5H,3,6-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);3,5-6,10H,1-2,4H2;3*5-6H,1-4H2;4-6H,1-3H2;1-4H,5-6H2;2*1-4H,5-6H2;4*1-4H,5-6H2;1,3,5,9-10H,2,4H2;2-3,5,9H,1,4H2;1,3,5,9H,2,4H2;1-2,4,9H,3,5H2;31*1-2H3
InChIKeyFQTDPTDAQAQJMY-UHFFFAOYSA-N
MW5254.24 g/mol
LogP82.18
Rot. Bonds

About 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;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;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline (PubChem CID 158113751) has the molecular formula C319H478N26O14S11 and a molecular weight of 5254.24 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;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;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline
PubChem CID158113751
Molecular FormulaC319H478N26O14S11
Molecular Weight5254.24 g/mol
Exact Mass5249.44
IUPAC Name1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;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.CC.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCN2.c1cc2c(cn1)CCN2.c1cc2c(cn1)NCC2.c1cc2c(cn1)NNCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)NCC2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2.c1ncc2c(n1)CCCC2
InChIInChI=1S/4C9H11N.2C9H10O2S.2C9H10OS.2C9H10O.2C9H10S.C9H10.6C8H10N2.C8H9N.C8H8O2S.2C8H8OS.2C8H8O.2C8H8S.C7H9N3.3C7H8N2.31C2H6/c2*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;1-2-5-9-7-3-6-8(9)4-1;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;1-2-4-8-7(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;1-2-7-4-5-9-6-8(7)3-1;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;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-10-7;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;31*1-2/h2*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;1-2,4-5H,3,6-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);3,5-6,10H,1-2,4H2;3*5-6H,1-4H2;4-6H,1-3H2;1-4H,5-6H2;2*1-4H,5-6H2;4*1-4H,5-6H2;1,3,5,9-10H,2,4H2;2-3,5,9H,1,4H2;1,3,5,9H,2,4H2;1-2,4,9H,3,5H2;31*1-2H3
InChIKeyFQTDPTDAQAQJMY-UHFFFAOYSA-N
XLogP82.18
TPSA535.88 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds
Heavy Atoms370
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005254.24
LogP ≤ 582.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Analyze 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline with MolForge

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What is the IUPAC name of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;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;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline (CID 158113751) is 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;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;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;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;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;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.CC.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCCN2.c1cc2c(cn1)CCN2.c1cc2c(cn1)NCC2.c1cc2c(cn1)NNCC2.c1cc2c(nn1)CCCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)NCC2.c1cnc2c(c1)NCCC2.c1cnc2c(n1)CCCC2.c1ncc2c(n1)CCCC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline?
The InChIKey is FQTDPTDAQAQJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H11N.2C9H10O2S.2C9H10OS.2C9H10O.2C9H10S.C9H10.6C8H10N2.C8H9N.C8H8O2S.2C8H8OS.2C8H8O.2C8H8S.C7H9N3.3C7H8N2.31C2H6/c2*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;1-2-5-9-7-3-6-8(9)4-1;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;1-2-4-8-7(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;1-2-7-4-5-9-6-8(7)3-1;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;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-10-7;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;31*1-2/h2*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;1-2,4-5H,3,6-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);3,5-6,10H,1-2,4H2;3*5-6H,1-4H2;4-6H,1-3H2;1-4H,5-6H2;2*1-4H,5-6H2;4*1-4H,5-6H2;1,3,5,9-10H,2,4H2;2-3,5,9H,1,4H2;1,3,5,9H,2,4H2;1-2,4,9H,3,5H2;31*1-2H3.
What are the key properties of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;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;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline has a molecular weight of 5254.24 g/mol, XLogP of 82.18, 0 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;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;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;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;2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;2,3-dihydro-1H-pyrrolo[3,2-c]pyridine;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;ethane;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-1,8-naphthyridine;1,2,3,4-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydroquinazoline;bis(5,6,7,8-tetrahydroquinoline);5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 158113751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).