1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine

C204H306F5N15O8 — CID 160718149

About 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine

1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 160718149) has the molecular formula C204H306F5N15O8 and a molecular weight of 3191.78 g/mol. Its IUPAC name is 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 160718149
• Molecular Formula: C204H306F5N15O8
• Molecular Weight: 3191.78 g/mol
• Exact Mass: 3189.39
• IUPAC Name: 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: C.C.C.C.CC(C)N1CCOCC1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(C2CC2)c1.CC(C)c1ccnc(C2CC2)n1.CCCCOc1ccc(C(C)C)cc1.CCCCOc1ccc(C(C)C)cc1F.CCc1cc(C(C)C)ccn1.CCc1nccc(C(C)C)n1.COCc1cc(C(C)C)ccn1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1
• InChI: InChI=1S/C13H19FO.C13H20O.C12H18O.C11H15N.C11H17N.C10H13F.C10H14N2.C10H16N2.C10H15NO.C10H15N.C10H12O2.C10H14O.C10H14.C9H10F3N.C9H14N2.2C9H13N.C9H12.C8H11N.C7H15NO.4CH4/c1-4-5-8-15-13-7-6-11(10(2)3)9-12(13)14;1-4-5-10-14-13-8-6-12(7-9-13)11(2)3;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-8(2)10-5-6-12-11(7-10)9-3-4-9;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)9-5-6-11-10(12-9)8(3)4;1-8(2)9-4-5-11-10(6-9)7-12-3;1-4-10-7-9(8(2)3)5-6-11-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-4-9-10-6-5-8(11-9)7(2)3;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;;;;/h6-7,9-10H,4-5,8H2,1-3H3;6-9,11H,4-5,10H2,1-3H3;5-10H,1-4H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;5-8H,4H2,1-3H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;7H,3-6H2,1-2H3;4*1H4
• InChIKey: RSTAWCWHQDNKKU-UHFFFAOYSA-N
• XLogP: 58.88
• TPSA: 257.54 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 39
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3191.78
LogP ≤ 5	58.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine (CID 160718149) is 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine is C.C.C.C.CC(C)N1CCOCC1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(C2CC2)c1.CC(C)c1ccnc(C2CC2)n1.CCCCOc1ccc(C(C)C)cc1.CCCCOc1ccc(C(C)C)cc1F.CCc1cc(C(C)C)ccn1.CCc1nccc(C(C)C)n1.COCc1cc(C(C)C)ccn1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.

What is the InChIKey of 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is RSTAWCWHQDNKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO.C13H20O.C12H18O.C11H15N.C11H17N.C10H13F.C10H14N2.C10H16N2.C10H15NO.C10H15N.C10H12O2.C10H14O.C10H14.C9H10F3N.C9H14N2.2C9H13N.C9H12.C8H11N.C7H15NO.4CH4/c1-4-5-8-15-13-7-6-11(10(2)3)9-12(13)14;1-4-5-10-14-13-8-6-12(7-9-13)11(2)3;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-8(2)10-5-6-12-11(7-10)9-3-4-9;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-5-6-11-10(12-9)8-3-4-8;1-7(2)9-5-6-11-10(12-9)8(3)4;1-8(2)9-4-5-11-10(6-9)7-12-3;1-4-10-7-9(8(2)3)5-6-11-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-4-9-10-6-5-8(11-9)7(2)3;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;;;;/h6-7,9-10H,4-5,8H2,1-3H3;6-9,11H,4-5,10H2,1-3H3;5-10H,1-4H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;5-8H,4H2,1-3H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-6H,1-2H3;5-7H,4H2,1-3H3;2*4-7H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;7H,3-6H2,1-2H3;4*1H4.

What are the key properties of 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?

1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3191.78 g/mol, XLogP of 58.88, 39 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-2-fluoro-4-propan-2-ylbenzene;1-butoxy-4-propan-2-ylbenzene;cumene;2-cyclopropyl-4-propan-2-ylpyridine;2-cyclopropyl-4-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;2-ethyl-4-propan-2-ylpyridine;2-ethyl-4-propan-2-ylpyrimidine;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-(methoxymethyl)-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-4-propan-2-ylpyridine);5-propan-2-yl-1,3-benzodioxole;4-propan-2-ylmorpholine;1-propan-2-yl-4-propan-2-yloxybenzene;2-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160718149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).