1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone)

C196H260F2INO7 — CID 167583487

IUPAC1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone)
SMILESCC(=O)c1cccc(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1.CC(C)c1c(F)cccc1F.CC(C)c1ccc(O)cc1.CC(C)c1cccc(C2CC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(C=O)c1.CC(C)c1ccccc1C(=O)O.CC(C)c1ccccc1I.CC(C)c1ccccc1O.CCc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.[C-]#[N+]c1ccccc1C(C)C
InChIInChI=1S/C15H22.C12H16.2C11H14O.C11H16.C10H11N.C10H12O2.C10H12O.7C10H14.C9H10F2.C9H11I.2C9H12O/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)11-4-3-5-12(8-11)10-6-7-10;2*1-8(2)10-5-4-6-11(7-10)9(3)12;1-4-10-6-5-7-11(8-10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)10-5-3-4-9(6-10)7-11;7*1-8(2)10-6-4-5-9(3)7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10/h6,9-13H,3-5,7-8H2,1-2H3;3-5,8-10H,6-7H2,1-2H3;2*4-8H,1-3H3;5-9H,4H2,1-3H3;4-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;7*4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7,10H,1-2H3
InChIKeyHMIARRRJLCIIFF-UHFFFAOYSA-N
MW2907.14 g/mol
LogP59.80
Rot. Bonds26

About 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone)

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone) (PubChem CID 167583487) has the molecular formula C196H260F2INO7 and a molecular weight of 2907.14 g/mol. Its IUPAC name is 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone).

Molecular Properties

Compound Name1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone)
PubChem CID167583487
Molecular FormulaC196H260F2INO7
Molecular Weight2907.14 g/mol
Exact Mass2904.90
IUPAC Name1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone)
SMILESCC(=O)c1cccc(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1.CC(C)c1c(F)cccc1F.CC(C)c1ccc(O)cc1.CC(C)c1cccc(C2CC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(C=O)c1.CC(C)c1ccccc1C(=O)O.CC(C)c1ccccc1I.CC(C)c1ccccc1O.CCc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.[C-]#[N+]c1ccccc1C(C)C
InChIInChI=1S/C15H22.C12H16.2C11H14O.C11H16.C10H11N.C10H12O2.C10H12O.7C10H14.C9H10F2.C9H11I.2C9H12O/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)11-4-3-5-12(8-11)10-6-7-10;2*1-8(2)10-5-4-6-11(7-10)9(3)12;1-4-10-6-5-7-11(8-10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)10-5-3-4-9(6-10)7-11;7*1-8(2)10-6-4-5-9(3)7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10/h6,9-13H,3-5,7-8H2,1-2H3;3-5,8-10H,6-7H2,1-2H3;2*4-8H,1-3H3;5-9H,4H2,1-3H3;4-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;7*4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7,10H,1-2H3
InChIKeyHMIARRRJLCIIFF-UHFFFAOYSA-N
XLogP59.80
TPSA133.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002907.14
LogP ≤ 559.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone)?
The IUPAC name of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone) (CID 167583487) is 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone).
What is the SMILES notation for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone)?
The canonical SMILES for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone) is CC(=O)c1cccc(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1.CC(C)c1c(F)cccc1F.CC(C)c1ccc(O)cc1.CC(C)c1cccc(C2CC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(C=O)c1.CC(C)c1ccccc1C(=O)O.CC(C)c1ccccc1I.CC(C)c1ccccc1O.CCc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.[C-]#[N+]c1ccccc1C(C)C.
What is the InChIKey of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone)?
The InChIKey is HMIARRRJLCIIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C12H16.2C11H14O.C11H16.C10H11N.C10H12O2.C10H12O.7C10H14.C9H10F2.C9H11I.2C9H12O/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)11-4-3-5-12(8-11)10-6-7-10;2*1-8(2)10-5-4-6-11(7-10)9(3)12;1-4-10-6-5-7-11(8-10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)10-5-3-4-9(6-10)7-11;7*1-8(2)10-6-4-5-9(3)7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10/h6,9-13H,3-5,7-8H2,1-2H3;3-5,8-10H,6-7H2,1-2H3;2*4-8H,1-3H3;5-9H,4H2,1-3H3;4-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;7*4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7,10H,1-2H3.
What are the key properties of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone)?
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone) has a molecular weight of 2907.14 g/mol, XLogP of 59.80, 26 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1-ethyl-3-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);3-propan-2-ylbenzaldehyde;2-propan-2-ylbenzoic acid;2-propan-2-ylphenol;4-propan-2-ylphenol;bis(1-(3-propan-2-ylphenyl)ethanone) is sourced from PubChem (CID 167583487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).