4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

C184H205N7O18S10 — CID 157458685

About 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (PubChem CID 157458685) has the molecular formula C184H205N7O18S10 and a molecular weight of 3123.36 g/mol. Its IUPAC name is 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
• PubChem CID: 157458685
• Molecular Formula: C184H205N7O18S10
• Molecular Weight: 3123.36 g/mol
• Exact Mass: 3120.25
• IUPAC Name: 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
• SMILES: C1=COc2ccccc2C1.C1CC2CNCC(C1)O2.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2N1.O=S1(=O)CCCC2CC21.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2
• InChI: InChI=1S/2C9H11N.2C9H10O2S.2C9H10OS.C9H10O.C9H8O.C9H10O.2C9H10S.2C8H7NO.2C8H9N.2C8H8OS.2C8H8O.C8H8S.C7H13NO.C6H10O2S/c1-2-6-9-8(4-1)5-3-7-10-9;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;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;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*10-8-5-6-3-1-2-4-7(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;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;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-8-5-7(3-1)9-6;7-9(8)3-1-2-5-4-6(5)9/h1-2,4,6,10H,3,5,7H2;1-4,10H,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;1-4,6-7H,5H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;2*1-4H,5H2,(H,9,10);2*1-4,9H,5-6H2;2*1-4H,5-6H2;3*1-4H,5-6H2;6-8H,1-5H2;5-6H,1-4H2
• InChIKey: BTQYDUVLPPXJKH-UHFFFAOYSA-N
• XLogP: 35.17
• TPSA: 344.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3123.36
LogP ≤ 5	35.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

The IUPAC name of 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (CID 157458685) is 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline is C1=COc2ccccc2C1.C1CC2CNCC(C1)O2.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2N1.O=S1(=O)CCCC2CC21.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.

What is the InChIKey of 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

The InChIKey is BTQYDUVLPPXJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.2C9H10O2S.2C9H10OS.C9H10O.C9H8O.C9H10O.2C9H10S.2C8H7NO.2C8H9N.2C8H8OS.2C8H8O.C8H8S.C7H13NO.C6H10O2S/c1-2-6-9-8(4-1)5-3-7-10-9;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;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;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*10-8-5-6-3-1-2-4-7(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;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;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-8-5-7(3-1)9-6;7-9(8)3-1-2-5-4-6(5)9/h1-2,4,6,10H,3,5,7H2;1-4,10H,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;1-4,6-7H,5H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;2*1-4H,5H2,(H,9,10);2*1-4,9H,5-6H2;2*1-4H,5-6H2;3*1-4H,5-6H2;6-8H,1-5H2;5-6H,1-4H2.

What are the key properties of 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline has a molecular weight of 3123.36 g/mol, XLogP of 35.17, 0 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4H-chromene;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;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;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;9-oxa-3-azabicyclo[3.3.1]nonane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 157458685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).