cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine

C154H187N11O4 — CID 158304437

IUPACcumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccncc1.CC(C)c1cnoc1
InChIInChI=1S/C13H14.C12H16.C11H13NO.5C11H13N.2C11H12O.C10H12N2.C9H12.2C8H11N.C6H9NO/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7-8-4-6/h3-10H,1-2H3;6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);5*3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3
InChIKeyGMXDCDPJBWAOPK-UHFFFAOYSA-N
MW2256.26 g/mol
LogP44.84
Rot. Bonds15

About cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine

cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 158304437) has the molecular formula C154H187N11O4 and a molecular weight of 2256.26 g/mol. Its IUPAC name is cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID158304437
Molecular FormulaC154H187N11O4
Molecular Weight2256.26 g/mol
Exact Mass2254.48
IUPAC Namecumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccncc1.CC(C)c1cnoc1
InChIInChI=1S/C13H14.C12H16.C11H13NO.5C11H13N.2C11H12O.C10H12N2.C9H12.2C8H11N.C6H9NO/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7-8-4-6/h3-10H,1-2H3;6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);5*3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3
InChIKeyGMXDCDPJBWAOPK-UHFFFAOYSA-N
XLogP44.84
TPSA214.82 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms169
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002256.26
LogP ≤ 544.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 158304437) is cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccncc1.CC(C)c1cnoc1.
What is the InChIKey of cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is GMXDCDPJBWAOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C12H16.C11H13NO.5C11H13N.2C11H12O.C10H12N2.C9H12.2C8H11N.C6H9NO/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7-8-4-6/h3-10H,1-2H3;6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);5*3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3.
What are the key properties of cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 2256.26 g/mol, XLogP of 44.84, 15 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 158304437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).