3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline

C257H341N3O3 — CID 159311728

About 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline

3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 159311728) has the molecular formula C257H341N3O3 and a molecular weight of 3520.57 g/mol. Its IUPAC name is 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline
• PubChem CID: 159311728
• Molecular Formula: C257H341N3O3
• Molecular Weight: 3520.57 g/mol
• Exact Mass: 3517.66
• IUPAC Name: 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline
• SMILES: CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCc2ccccc21.CC(C)(C)C1CCc2ccccc21.CC(C)(C)C1CCc2ccccc2C1.CC(C)(C)C1CNc2ccccc2C1.CC(C)(C)C1COc2ccccc2C1.CC(C)(C)C1Cc2ccccc2C1.C[C@@H]1CCCc2ccccc21.C[C@@H]1CCCc2ccccc21.C[C@@H]1CCCc2ccccc21.C[C@@H]1CCc2ccccc21.C[C@@H]1CNc2ccccc2C1.C[C@@H]1COc2ccccc2C1.C[C@H]1CCCc2ccccc21.C[C@H]1CCCc2ccccc21.C[C@H]1CCCc2ccccc21.C[C@H]1CCc2ccccc21.C[C@H]1CCc2ccccc21.C[C@H]1CNc2ccccc2C1.C[C@H]1COc2ccccc2C1
• InChI: InChI=1S/4C14H20.C13H19N.C13H18O.3C13H18.6C11H14.2C10H13N.2C10H12O.3C10H12/c3*1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;2*1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;2*1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;6*1-9-5-4-7-10-6-2-3-8-11(9)10;4*1-8-6-9-4-2-3-5-10(9)11-7-8;3*1-8-6-7-9-4-2-3-5-10(8)9/h3*4-5,7,9,13H,6,8,10H2,1-3H3;4-7,13H,8-10H2,1-3H3;4-7,11,14H,8-9H2,1-3H3;4-7,11H,8-9H2,1-3H3;3*4-7,12H,8-9H2,1-3H3;6*2-3,6,8-9H,4-5,7H2,1H3;2*2-5,8,11H,6-7H2,1H3;2*2-5,8H,6-7H2,1H3;3*2-5,8H,6-7H2,1H3/t;;;;;;;;;6*9-;7*8-/m.........1110001010100/s1
• InChIKey: LCQDTWZMVPIBBG-HNJNMZRHSA-N
• XLogP: 69.93
• TPSA: 63.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3520.57
LogP ≤ 5	69.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline?

The IUPAC name of 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline (CID 159311728) is 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCc2ccccc21.CC(C)(C)C1CCc2ccccc21.CC(C)(C)C1CCc2ccccc2C1.CC(C)(C)C1CNc2ccccc2C1.CC(C)(C)C1COc2ccccc2C1.CC(C)(C)C1Cc2ccccc2C1.C[C@@H]1CCCc2ccccc21.C[C@@H]1CCCc2ccccc21.C[C@@H]1CCCc2ccccc21.C[C@@H]1CCc2ccccc21.C[C@@H]1CNc2ccccc2C1.C[C@@H]1COc2ccccc2C1.C[C@H]1CCCc2ccccc21.C[C@H]1CCCc2ccccc21.C[C@H]1CCCc2ccccc21.C[C@H]1CCc2ccccc21.C[C@H]1CCc2ccccc21.C[C@H]1CNc2ccccc2C1.C[C@H]1COc2ccccc2C1.

What is the InChIKey of 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline?

The InChIKey is LCQDTWZMVPIBBG-HNJNMZRHSA-N. The full InChI is InChI=1S/4C14H20.C13H19N.C13H18O.3C13H18.6C11H14.2C10H13N.2C10H12O.3C10H12/c3*1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;2*1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;2*1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;6*1-9-5-4-7-10-6-2-3-8-11(9)10;4*1-8-6-9-4-2-3-5-10(9)11-7-8;3*1-8-6-7-9-4-2-3-5-10(8)9/h3*4-5,7,9,13H,6,8,10H2,1-3H3;4-7,13H,8-10H2,1-3H3;4-7,11,14H,8-9H2,1-3H3;4-7,11H,8-9H2,1-3H3;3*4-7,12H,8-9H2,1-3H3;6*2-3,6,8-9H,4-5,7H2,1H3;2*2-5,8,11H,6-7H2,1H3;2*2-5,8H,6-7H2,1H3;3*2-5,8H,6-7H2,1H3/t;;;;;;;;;6*9-;7*8-/m.........1110001010100/s1.

What are the key properties of 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline?

3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3520.57 g/mol, XLogP of 69.93, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-3,4-dihydro-2H-chromene;bis(1-tert-butyl-2,3-dihydro-1H-indene);2-tert-butyl-2,3-dihydro-1H-indene;tris(1-tert-butyl-1,2,3,4-tetrahydronaphthalene);2-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-1,2,3,4-tetrahydroquinoline;(3R)-3-methyl-3,4-dihydro-2H-chromene;(3S)-3-methyl-3,4-dihydro-2H-chromene;bis((1S)-1-methyl-2,3-dihydro-1H-indene);(1R)-1-methyl-2,3-dihydro-1H-indene;tris((1S)-1-methyl-1,2,3,4-tetrahydronaphthalene);tris((1R)-1-methyl-1,2,3,4-tetrahydronaphthalene);(3R)-3-methyl-1,2,3,4-tetrahydroquinoline;(3S)-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159311728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).