2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid

C216H306F4N14O8 — CID 159575306

IUPAC2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(O)cc1.CC(C)c1ccc(OC(C)(C)C)cc1.CC(C)c1ccc[n+]([O-])c1.CCOc1ccc(C(C)C)cc1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1cc(C)c(C(C)C)cn1.Cc1cc(F)cc(F)c1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1
InChIInChI=1S/C13H20O.C12H18O.C11H15N.C11H17N.C11H16O.C10H12F2.2C10H13F.2C10H15N.C10H14O.C9H11NO2.8C9H13N.C9H12O.C8H11NO/c1-10(2)11-6-8-12(9-7-11)14-13(3,4)5;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-12-11-7-5-10(6-8-11)9(2)3;1-6(2)10-7(3)4-8(11)5-9(10)12;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-11-9(4)5-8(10)3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-6(2)7-3-4-8(9(11)12)10-5-7;8*1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8/h6-10H,1-5H3;5-10H,1-4H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3,(H,11,12);8*4-7H,1-3H3;3-7,10H,1-2H3;3-7H,1-2H3
InChIKeyMIIGIZJTJWGERI-UHFFFAOYSA-N
MW3302.91 g/mol
LogP61.49
Rot. Bonds32

About 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid

2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid (PubChem CID 159575306) has the molecular formula C216H306F4N14O8 and a molecular weight of 3302.91 g/mol. Its IUPAC name is 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid
PubChem CID159575306
Molecular FormulaC216H306F4N14O8
Molecular Weight3302.91 g/mol
Exact Mass3300.39
IUPAC Name2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(O)cc1.CC(C)c1ccc(OC(C)(C)C)cc1.CC(C)c1ccc[n+]([O-])c1.CCOc1ccc(C(C)C)cc1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1cc(C)c(C(C)C)cn1.Cc1cc(F)cc(F)c1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1
InChIInChI=1S/C13H20O.C12H18O.C11H15N.C11H17N.C11H16O.C10H12F2.2C10H13F.2C10H15N.C10H14O.C9H11NO2.8C9H13N.C9H12O.C8H11NO/c1-10(2)11-6-8-12(9-7-11)14-13(3,4)5;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-12-11-7-5-10(6-8-11)9(2)3;1-6(2)10-7(3)4-8(11)5-9(10)12;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-11-9(4)5-8(10)3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-6(2)7-3-4-8(9(11)12)10-5-7;8*1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8/h6-10H,1-5H3;5-10H,1-4H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3,(H,11,12);8*4-7H,1-3H3;3-7,10H,1-2H3;3-7H,1-2H3
InChIKeyMIIGIZJTJWGERI-UHFFFAOYSA-N
XLogP61.49
TPSA288.96 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003302.91
LogP ≤ 561.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid (CID 159575306) is 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid is CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(O)cc1.CC(C)c1ccc(OC(C)(C)C)cc1.CC(C)c1ccc[n+]([O-])c1.CCOc1ccc(C(C)C)cc1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1cc(C)c(C(C)C)cn1.Cc1cc(F)cc(F)c1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.
What is the InChIKey of 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid?
The InChIKey is MIIGIZJTJWGERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C12H18O.C11H15N.C11H17N.C11H16O.C10H12F2.2C10H13F.2C10H15N.C10H14O.C9H11NO2.8C9H13N.C9H12O.C8H11NO/c1-10(2)11-6-8-12(9-7-11)14-13(3,4)5;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-12-11-7-5-10(6-8-11)9(2)3;1-6(2)10-7(3)4-8(11)5-9(10)12;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-11-9(4)5-8(10)3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-6(2)7-3-4-8(9(11)12)10-5-7;8*1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8/h6-10H,1-5H3;5-10H,1-4H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3,(H,11,12);8*4-7H,1-3H3;3-7,10H,1-2H3;3-7H,1-2H3.
What are the key properties of 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid?
2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid has a molecular weight of 3302.91 g/mol, XLogP of 61.49, 32 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-propan-2-ylpyridine;1,5-difluoro-3-methyl-2-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;1-ethoxy-4-propan-2-ylbenzene;2-ethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methoxy-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;octakis(2-methyl-5-propan-2-ylpyridine);1-oxido-3-propan-2-ylpyridin-1-ium;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 159575306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).