4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one

C179H211Cl3FN17O7 — CID 165085934

IUPAC4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
SMILESC=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cn[nH]c12.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2cc[nH]c12.CC(C)c1cc(O)cc2cccn12.CC(C)c1cc(O)cc2n[nH]nc12.CC(C)c1cc(O)cn2cccc12.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cn[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2
InChIInChI=1S/3C13H16.3C12H13Cl.C11H14N2.3C11H13NO.C11H13N.C10H11FN2.3C10H12N2O.C9H11N3O/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-7(2)10-8(3)4-5-9-6-12-13-11(9)10;1-7(2)10-6-9(13)5-8-3-4-12-11(8)10;1-8(2)10-6-9(13)7-12-5-3-4-11(10)12;1-8(2)11-7-10(13)6-9-4-3-5-12(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)9-8(11)4-3-7-5-12-13-10(7)9;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9;1-7(2)9-5-8(13)6-10-11-3-4-12(9)10;1-7(2)10-6-9(13)5-8-3-4-11-12(8)10;1-5(2)7-3-6(13)4-8-9(7)11-12-10-8/h4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;2*3-8,13H,1-2H3;3,5-8H,4H2,1-2H3;3-6H,1-2H3,(H,12,13);3-4,6,13H,5H2,1-2H3;2*3-7,11H,1-2H3;3-5,13H,1-2H3,(H,10,11,12)
InChIKeyYMKSFJHITZASHP-UHFFFAOYSA-N
MW2838.13 g/mol
LogP45.69
Rot. Bonds16

About 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one

4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one (PubChem CID 165085934) has the molecular formula C179H211Cl3FN17O7 and a molecular weight of 2838.13 g/mol. Its IUPAC name is 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
PubChem CID165085934
Molecular FormulaC179H211Cl3FN17O7
Molecular Weight2838.13 g/mol
Exact Mass2834.57
IUPAC Name4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
SMILESC=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cn[nH]c12.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2cc[nH]c12.CC(C)c1cc(O)cc2cccn12.CC(C)c1cc(O)cc2n[nH]nc12.CC(C)c1cc(O)cn2cccc12.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cn[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2
InChIInChI=1S/3C13H16.3C12H13Cl.C11H14N2.3C11H13NO.C11H13N.C10H11FN2.3C10H12N2O.C9H11N3O/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-7(2)10-8(3)4-5-9-6-12-13-11(9)10;1-7(2)10-6-9(13)5-8-3-4-12-11(8)10;1-8(2)10-6-9(13)7-12-5-3-4-11(10)12;1-8(2)11-7-10(13)6-9-4-3-5-12(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)9-8(11)4-3-7-5-12-13-10(7)9;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9;1-7(2)9-5-8(13)6-10-11-3-4-12(9)10;1-7(2)10-6-9(13)5-8-3-4-11-12(8)10;1-5(2)7-3-6(13)4-8-9(7)11-12-10-8/h4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;2*3-8,13H,1-2H3;3,5-8H,4H2,1-2H3;3-6H,1-2H3,(H,12,13);3-4,6,13H,5H2,1-2H3;2*3-7,11H,1-2H3;3-5,13H,1-2H3,(H,10,11,12)
InChIKeyYMKSFJHITZASHP-UHFFFAOYSA-N
XLogP45.69
TPSA336.84 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002838.13
LogP ≤ 545.69
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one with MolForge

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Related Compounds

4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;5-fluoro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(7-propan-2-yl-2H-benzimidazol-5-ol);5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 157239481
4-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);5-fluoro-3-propan-2-yl-1H-indene;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 157489932
4-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 158357477
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-yl-1,3-dihydroinden-2-one;5-propan-2-ylimidazo[1,5-a]pyridin-7-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 160438477
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;3-methyl-7-propan-2-yl-3H-inden-5-ol;bis(7-propan-2-yl-2H-benzimidazol-5-ol);5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 160924608
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(7-propan-2-yl-2H-benzimidazol-5-ol);1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 160942306
CID 161211878
CID 161211878
5-chloro-1-propan-2-yl-1H-indene;7-chloro-1-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);6-fluoro-1-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-1-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 165097983

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
The IUPAC name of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one (CID 165085934) is 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one is C=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cn[nH]c12.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2cc[nH]c12.CC(C)c1cc(O)cc2cccn12.CC(C)c1cc(O)cc2n[nH]nc12.CC(C)c1cc(O)cn2cccc12.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cn[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2.
What is the InChIKey of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
The InChIKey is YMKSFJHITZASHP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H16.3C12H13Cl.C11H14N2.3C11H13NO.C11H13N.C10H11FN2.3C10H12N2O.C9H11N3O/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-7(2)10-8(3)4-5-9-6-12-13-11(9)10;1-7(2)10-6-9(13)5-8-3-4-12-11(8)10;1-8(2)10-6-9(13)7-12-5-3-4-11(10)12;1-8(2)11-7-10(13)6-9-4-3-5-12(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)9-8(11)4-3-7-5-12-13-10(7)9;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9;1-7(2)9-5-8(13)6-10-11-3-4-12(9)10;1-7(2)10-6-9(13)5-8-3-4-11-12(8)10;1-5(2)7-3-6(13)4-8-9(7)11-12-10-8/h4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;2*3-8,13H,1-2H3;3,5-8H,4H2,1-2H3;3-6H,1-2H3,(H,12,13);3-4,6,13H,5H2,1-2H3;2*3-7,11H,1-2H3;3-5,13H,1-2H3,(H,10,11,12).
What are the key properties of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one has a molecular weight of 2838.13 g/mol, XLogP of 45.69, 16 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indazole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;6-methyl-7-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;7-propan-2-yl-2H-benzimidazol-5-ol;7-propan-2-yl-2H-benzotriazol-5-ol;1-propan-2-yl-5H-cyclopenta[c]pyridine;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165085934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).