2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol

C198H250Cl4F3N13O13 — CID 159336242

About 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol

2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol (PubChem CID 159336242) has the molecular formula C198H250Cl4F3N13O13 and a molecular weight of 3219.06 g/mol. Its IUPAC name is 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol.

Molecular Properties

• Compound Name: 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol
• PubChem CID: 159336242
• Molecular Formula: C198H250Cl4F3N13O13
• Molecular Weight: 3219.06 g/mol
• Exact Mass: 3214.80
• IUPAC Name: 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol
• SMILES: CC(C)C1=CCc2ccccc21.CC(C)c1c(C2CC2)ccc2c1C=CC2.CC(C)c1c(F)ccc(O)c1Cl.CC(C)c1c(O)cccc1Cl.CC(C)c1c(O)cccc1F.CC(C)c1cc(N)cc2c1ccn2C.CC(C)c1cc(O)cc2c1CCN2C.CC(C)c1cc(O)cc2c1CNC2=O.CC(C)c1cc(O)cc2ccn(C)c12.CC(C)c1cc(O)cc2cn(C)nc12.CC(C)c1cc(O)cc2nn(C)cc12.CC(C)c1ccccc1O.CC(C)c1ncccc1Cl.COc1cc(C(C)C)c2c(ccn2C)c1.COc1cccc(F)c1C(C)C.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1ccc(Cl)c(C(C)C)c1.Cc1nc2c(C(C)C)cc(O)cc2[nH]1
• InChI: InChI=1S/C15H18.C14H18.C13H17NO.C12H16N2.C12H17NO.C12H15NO.C12H14.3C11H14N2O.C11H13NO2.C10H13Cl.C10H13FO.C9H10ClFO.C9H11ClO.C9H11FO.C9H12O.C8H10ClN/c1-10(2)15-13-5-3-4-11(13)8-9-14(15)12-6-7-12;1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-9(2)12-8-11(15-4)7-10-5-6-14(3)13(10)12;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;1-8(2)11-7-10(14)6-9-4-5-13(3)12(9)11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)10-5-9(14)4-8-6-13(3)12-11(8)10;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;1-6(2)8-3-7(13)4-9-10(8)5-12-11(9)14;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-8(11)5-4-6-9(10)12-3;1-5(2)8-6(11)3-4-7(12)9(8)10;2*1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9)4-3-5-10-8/h3,5,8-10,12H,4,6-7H2,1-2H3;5,7-9H,6H2,1-4H3;5-9H,1-4H3;4-8H,13H2,1-3H3;6-8,14H,4-5H2,1-3H3;4-8,14H,1-3H3;3-6,8-9H,7H2,1-2H3;2*4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);3-4,6,13H,5H2,1-2H3,(H,12,14);4-7H,1-3H3;4-7H,1-3H3;3-5,12H,1-2H3;2*3-6,11H,1-2H3;3-7,10H,1-2H3;3-6H,1-2H3
• InChIKey: LFONRZIOWGQBNV-UHFFFAOYSA-N
• XLogP: 53.74
• TPSA: 371.12 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3219.06
LogP ≤ 5	53.74
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol?

The IUPAC name of 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol (CID 159336242) is 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol.

What is the SMILES notation for 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol?

The canonical SMILES for 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol is CC(C)C1=CCc2ccccc21.CC(C)c1c(C2CC2)ccc2c1C=CC2.CC(C)c1c(F)ccc(O)c1Cl.CC(C)c1c(O)cccc1Cl.CC(C)c1c(O)cccc1F.CC(C)c1cc(N)cc2c1ccn2C.CC(C)c1cc(O)cc2c1CCN2C.CC(C)c1cc(O)cc2c1CNC2=O.CC(C)c1cc(O)cc2ccn(C)c12.CC(C)c1cc(O)cc2cn(C)nc12.CC(C)c1cc(O)cc2nn(C)cc12.CC(C)c1ccccc1O.CC(C)c1ncccc1Cl.COc1cc(C(C)C)c2c(ccn2C)c1.COc1cccc(F)c1C(C)C.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1ccc(Cl)c(C(C)C)c1.Cc1nc2c(C(C)C)cc(O)cc2[nH]1.

What is the InChIKey of 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol?

The InChIKey is LFONRZIOWGQBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C14H18.C13H17NO.C12H16N2.C12H17NO.C12H15NO.C12H14.3C11H14N2O.C11H13NO2.C10H13Cl.C10H13FO.C9H10ClFO.C9H11ClO.C9H11FO.C9H12O.C8H10ClN/c1-10(2)15-13-5-3-4-11(13)8-9-14(15)12-6-7-12;1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-9(2)12-8-11(15-4)7-10-5-6-14(3)13(10)12;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;1-8(2)11-7-10(14)6-9-4-5-13(3)12(9)11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)10-5-9(14)4-8-6-13(3)12-11(8)10;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;1-6(2)8-3-7(13)4-9-10(8)5-12-11(9)14;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-8(11)5-4-6-9(10)12-3;1-5(2)8-6(11)3-4-7(12)9(8)10;2*1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9)4-3-5-10-8/h3,5,8-10,12H,4,6-7H2,1-2H3;5,7-9H,6H2,1-4H3;5-9H,1-4H3;4-8H,13H2,1-3H3;6-8,14H,4-5H2,1-3H3;4-8,14H,1-3H3;3-6,8-9H,7H2,1-2H3;2*4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);3-4,6,13H,5H2,1-2H3,(H,12,14);4-7H,1-3H3;4-7H,1-3H3;3-5,12H,1-2H3;2*3-6,11H,1-2H3;3-7,10H,1-2H3;3-6H,1-2H3.

What are the key properties of 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol?

2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol has a molecular weight of 3219.06 g/mol, XLogP of 53.74, 21 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;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-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol is sourced from PubChem (CID 159336242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).