1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline

C286H515N7O5 — CID 161405857

About 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline

1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline (PubChem CID 161405857) has the molecular formula C286H515N7O5 and a molecular weight of 4132.31 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
• PubChem CID: 161405857
• Molecular Formula: C286H515N7O5
• Molecular Weight: 4132.31 g/mol
• Exact Mass: 4129.03
• IUPAC Name: 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
• SMILES: C1=Cc2ccccc2C1.C1=Cc2ccccc2CC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)NCCO2
• InChI: InChI=1S/3C10H13N.C10H12.C10H10.2C9H11N.3C9H10O.C9H10.C9H8.C8H9NO.C8H9N.C8H8O.29C5H12.C4H10/c1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-6-9-5-7(8)3-1;29*1-5(2,3)4;1-4(2)3/h1-2,5,7,11H,3-4,6,8H2;1-2,4-5,11H,3,6-8H2;1-4,11H,5-8H2;1-2,5-6H,3-4,7-8H2;1-3,5-7H,4,8H2;1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;2*1-4H,5-7H2;1-2,4-5H,3,6-7H2;1-6H,7H2;1-4,9H,5-6H2;1-4,9H,5-6H2;1-4H,5-6H2;29*1-4H3;4H,1-3H3
• InChIKey: VUVDDEWRCLMTDE-UHFFFAOYSA-N
• XLogP: 89.76
• TPSA: 130.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Heavy Atoms: 298
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4132.31
LogP ≤ 5	89.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline?

The IUPAC name of 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline (CID 161405857) is 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline is C1=Cc2ccccc2C1.C1=Cc2ccccc2CC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)NCCO2.

What is the InChIKey of 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline?

The InChIKey is VUVDDEWRCLMTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13N.C10H12.C10H10.2C9H11N.3C9H10O.C9H10.C9H8.C8H9NO.C8H9N.C8H8O.29C5H12.C4H10/c1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-6-9-5-7(8)3-1;29*1-5(2,3)4;1-4(2)3/h1-2,5,7,11H,3-4,6,8H2;1-2,4-5,11H,3,6-8H2;1-4,11H,5-8H2;1-2,5-6H,3-4,7-8H2;1-3,5-7H,4,8H2;1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;2*1-4H,5-7H2;1-2,4-5H,3,6-7H2;1-6H,7H2;1-4,9H,5-6H2;1-4,9H,5-6H2;1-4H,5-6H2;29*1-4H3;4H,1-3H3.

What are the key properties of 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline?

1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline has a molecular weight of 4132.31 g/mol, XLogP of 89.76, 0 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(3,4-dihydro-1H-isochromene);2,3-dihydro-1H-isoindole;1,2-dihydronaphthalene;(2,2-dimethylpropane);1H-indene;2-methylpropane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 161405857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).