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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline

C288H424N16O12S10 — CID 159607941

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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline
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.O=O.O=S1(=O)CCc2ccccc21.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCN2.c1cc2c(cn1)NCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCN2.c1cnc2c(c1)NCC2
InChIInChI=1S/C10H12.3C9H11N.2C9H10OS.2C9H10O.2C9H10S.C9H10.5C8H9N.C8H8O2S.2C8H8OS.2C8H8O.3C8H8S.4C7H8N2.28C2H6.O2/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;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;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-7(3-1)5-6-9-8;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;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;1-2-6-3-5-9-7(6)8-4-1;29*1-2/h1-2,5-6H,3-4,7-8H2;3,5,7H,1-2,4,6H2;1-2,4,6,10H,3,5,7H2;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;1-2,4-5H,3,6-7H2;2*2,4,6H,1,3,5H2;2*4-6H,1-3H2;1-4,9H,5-6H2;1-4H,5-6H2;2*1-4H,5-6H2;5*1-4H,5-6H2;2-3,5,9H,1,4H2;1,3,5,9H,2,4H2;1-2,4,9H,3,5H2;1-2,4H,3,5H2,(H,8,9);28*1-2H3;
InChIKeyMMHWOTHZSWTLEV-UHFFFAOYSA-N
MW4623.33 g/mol
LogP78.20
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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline

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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline (PubChem CID 159607941) has the molecular formula C288H424N16O12S10 and a molecular weight of 4623.33 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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline.

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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline
PubChem CID159607941
Molecular FormulaC288H424N16O12S10
Molecular Weight4623.33 g/mol
Exact Mass4619.03
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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline
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.O=O.O=S1(=O)CCc2ccccc21.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCN2.c1cc2c(cn1)NCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCN2.c1cnc2c(c1)NCC2
InChIInChI=1S/C10H12.3C9H11N.2C9H10OS.2C9H10O.2C9H10S.C9H10.5C8H9N.C8H8O2S.2C8H8OS.2C8H8O.3C8H8S.4C7H8N2.28C2H6.O2/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;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;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-7(3-1)5-6-9-8;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;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;1-2-6-3-5-9-7(6)8-4-1;29*1-2/h1-2,5-6H,3-4,7-8H2;3,5,7H,1-2,4,6H2;1-2,4,6,10H,3,5,7H2;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;1-2,4-5H,3,6-7H2;2*2,4,6H,1,3,5H2;2*4-6H,1-3H2;1-4,9H,5-6H2;1-4H,5-6H2;2*1-4H,5-6H2;5*1-4H,5-6H2;2-3,5,9H,1,4H2;1,3,5,9H,2,4H2;1-2,4,9H,3,5H2;1-2,4H,3,5H2,(H,8,9);28*1-2H3;
InChIKeyMMHWOTHZSWTLEV-UHFFFAOYSA-N
XLogP78.20
TPSA374.56 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms326
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004623.33
LogP ≤ 578.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline 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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline?
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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline (CID 159607941) 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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline.
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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline?
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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline 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.O=O.O=S1(=O)CCc2ccccc21.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCC2.c1cc2c(cn1)CCCC2.c1cc2c(cn1)CCN2.c1cc2c(cn1)NCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCN2.c1cnc2c(c1)NCC2.
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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline?
The InChIKey is MMHWOTHZSWTLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.3C9H11N.2C9H10OS.2C9H10O.2C9H10S.C9H10.5C8H9N.C8H8O2S.2C8H8OS.2C8H8O.3C8H8S.4C7H8N2.28C2H6.O2/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;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;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-7(3-1)5-6-9-8;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;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;1-2-6-3-5-9-7(6)8-4-1;29*1-2/h1-2,5-6H,3-4,7-8H2;3,5,7H,1-2,4,6H2;1-2,4,6,10H,3,5,7H2;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;1-2,4-5H,3,6-7H2;2*2,4,6H,1,3,5H2;2*4-6H,1-3H2;1-4,9H,5-6H2;1-4H,5-6H2;2*1-4H,5-6H2;5*1-4H,5-6H2;2-3,5,9H,1,4H2;1,3,5,9H,2,4H2;1-2,4,9H,3,5H2;1-2,4H,3,5H2,(H,8,9);28*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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline?
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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline has a molecular weight of 4623.33 g/mol, XLogP of 78.20, 0 rotatable bonds, 6 hydrogen bond donors, and 33 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;bis(6,7-dihydro-5H-cyclopenta[b]pyridine);bis(6,7-dihydro-5H-cyclopenta[c]pyridine);2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;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-oxide;ethane;molecular oxygen;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 159607941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).