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

C218H281Cl2FN16O9 — CID 157489932

About 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

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 (PubChem CID 157489932) has the molecular formula C218H281Cl2FN16O9 and a molecular weight of 3359.65 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157489932
• Molecular Formula: C218H281Cl2FN16O9
• Molecular Weight: 3359.65 g/mol
• Exact Mass: 3356.14
• IUPAC Name: 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
• SMILES: C.C.C.C.C.C.C=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(N)cc2c1ccn2C.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2cc[nH]c12.CC(C)c1cc(O)cc2cccn12.CC(C)c1cc(O)cc2nn(C)cc12.CC(C)c1cc(O)cn2cccc12.CC1=C(C(C)C)c2ccccc2C1.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1nc2c(C(C)C)cc(O)cc2[nH]1
• InChI: InChI=1S/2C14H18.3C13H16.2C12H13Cl.C12H13F.C12H16N2.C12H15NO.2C11H14N2O.3C11H13NO.3C10H12N2O.6CH4/c2*1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-9(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)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3;1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3;1-7(2)9-4-8(14)5-11-10(9)6-13(3)12-11;1-6(2)9-4-8(14)5-10-11(9)13-7(3)12-10;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;1-6(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;;;;;;/h2*5,7-9H,6H2,1-4H3;4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;4-8H,3H2,1-2H3;3-5,7-8H,6H2,1-2H3;3,5-8H,4H2,1-2H3;4-8H,13H2,1-3H3;4-8,14H,1-3H3;4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;2*3-8,13H,1-2H3;3-4,6,13H,5H2,1-2H3;2*3-7,11H,1-2H3;6*1H4
• InChIKey: VNGGMZOCDHCSQO-UHFFFAOYSA-N
• XLogP: 57.68
• TPSA: 347.86 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3359.65
LogP ≤ 5	57.68
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.C.C.C.C.C=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(N)cc2c1ccn2C.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2cc[nH]c12.CC(C)c1cc(O)cc2cccn12.CC(C)c1cc(O)cc2nn(C)cc12.CC(C)c1cc(O)cn2cccc12.CC1=C(C(C)C)c2ccccc2C1.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1nc2c(C(C)C)cc(O)cc2[nH]1.

What is the InChIKey of 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?

The InChIKey is VNGGMZOCDHCSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H18.3C13H16.2C12H13Cl.C12H13F.C12H16N2.C12H15NO.2C11H14N2O.3C11H13NO.3C10H12N2O.6CH4/c2*1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-9(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)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3;1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3;1-7(2)9-4-8(14)5-11-10(9)6-13(3)12-11;1-6(2)9-4-8(14)5-10-11(9)13-7(3)12-10;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;1-6(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;;;;;;/h2*5,7-9H,6H2,1-4H3;4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;4-8H,3H2,1-2H3;3-5,7-8H,6H2,1-2H3;3,5-8H,4H2,1-2H3;4-8H,13H2,1-3H3;4-8,14H,1-3H3;4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;2*3-8,13H,1-2H3;3-4,6,13H,5H2,1-2H3;2*3-7,11H,1-2H3;6*1H4.

What are the key properties of 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?

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 has a molecular weight of 3359.65 g/mol, XLogP of 57.68, 18 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157489932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).