2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene

C143H201F7O23S2 — CID 158797874

About 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene

2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene (PubChem CID 158797874) has the molecular formula C143H201F7O23S2 and a molecular weight of 2485.28 g/mol. Its IUPAC name is 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene
• PubChem CID: 158797874
• Molecular Formula: C143H201F7O23S2
• Molecular Weight: 2485.28 g/mol
• Exact Mass: 2483.39
• IUPAC Name: 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene
• SMILES: CCCOc1ccc(C)cc1C(F)(F)F.CCCOc1ccc(C)cc1OC.CCCOc1ccc(C)cc1S(C)(=O)=O.CCOc1cc(C)cc(OCC)c1.COCCOc1ccc(C)cc1C.COc1cc(C)ccc1C(C)(C)O.COc1cc(C)ccc1C(C)CO.COc1cc(C)ccc1OC(C)C.Cc1ccc(C(C)(C)C)c(O)c1.Cc1ccc(C(C)(C)CO)c(F)c1.Cc1ccc(C(C)(C)O)c(C)c1.Cc1ccc(OC(C)C)c(C(F)(F)F)c1.Cc1ccc(OC(C)C)c(S(C)(=O)=O)c1
• InChI: InChI=1S/2C11H13F3O.C11H15FO.2C11H16O3S.6C11H16O2.2C11H16O/c1-7(2)15-10-5-4-8(3)6-9(10)11(12,13)14;1-3-6-15-10-5-4-8(2)7-9(10)11(12,13)14;1-8-4-5-9(10(12)6-8)11(2,3)7-13;1-8(2)14-10-6-5-9(3)7-11(10)15(4,12)13;1-4-7-14-10-6-5-9(2)8-11(10)15(3,12)13;1-8-5-6-9(11(2,3)12)10(7-8)13-4;1-8(2)13-10-6-5-9(3)7-11(10)12-4;1-8-4-5-10(9(2)7-12)11(6-8)13-3;1-9-4-5-11(10(2)8-9)13-7-6-12-3;1-4-7-13-10-6-5-9(2)8-11(10)12-3;1-4-12-10-6-9(3)7-11(8-10)13-5-2;1-8-5-6-9(10(12)7-8)11(2,3)4;1-8-5-6-10(9(2)7-8)11(3,4)12/h4-7H,1-3H3;4-5,7H,3,6H2,1-2H3;4-6,13H,7H2,1-3H3;5-8H,1-4H3;5-6,8H,4,7H2,1-3H3;5-7,12H,1-4H3;5-8H,1-4H3;4-6,9,12H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;5-6,8H,4,7H2,1-3H3;6-8H,4-5H2,1-3H3;2*5-7,12H,1-4H3
• InChIKey: ITBYXBKIJAVWSS-UHFFFAOYSA-N
• XLogP: 34.94
• TPSA: 298.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2485.28
LogP ≤ 5	34.94
H-Bond Donors ≤ 5	5
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 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene?

The IUPAC name of 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene (CID 158797874) is 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene.

What is the SMILES notation for 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene?

The canonical SMILES for 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene is CCCOc1ccc(C)cc1C(F)(F)F.CCCOc1ccc(C)cc1OC.CCCOc1ccc(C)cc1S(C)(=O)=O.CCOc1cc(C)cc(OCC)c1.COCCOc1ccc(C)cc1C.COc1cc(C)ccc1C(C)(C)O.COc1cc(C)ccc1C(C)CO.COc1cc(C)ccc1OC(C)C.Cc1ccc(C(C)(C)C)c(O)c1.Cc1ccc(C(C)(C)CO)c(F)c1.Cc1ccc(C(C)(C)O)c(C)c1.Cc1ccc(OC(C)C)c(C(F)(F)F)c1.Cc1ccc(OC(C)C)c(S(C)(=O)=O)c1.

What is the InChIKey of 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene?

The InChIKey is ITBYXBKIJAVWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13F3O.C11H15FO.2C11H16O3S.6C11H16O2.2C11H16O/c1-7(2)15-10-5-4-8(3)6-9(10)11(12,13)14;1-3-6-15-10-5-4-8(2)7-9(10)11(12,13)14;1-8-4-5-9(10(12)6-8)11(2,3)7-13;1-8(2)14-10-6-5-9(3)7-11(10)15(4,12)13;1-4-7-14-10-6-5-9(2)8-11(10)15(3,12)13;1-8-5-6-9(11(2,3)12)10(7-8)13-4;1-8(2)13-10-6-5-9(3)7-11(10)12-4;1-8-4-5-10(9(2)7-12)11(6-8)13-3;1-9-4-5-11(10(2)8-9)13-7-6-12-3;1-4-7-13-10-6-5-9(2)8-11(10)12-3;1-4-12-10-6-9(3)7-11(8-10)13-5-2;1-8-5-6-9(10(12)7-8)11(2,3)4;1-8-5-6-10(9(2)7-8)11(3,4)12/h4-7H,1-3H3;4-5,7H,3,6H2,1-2H3;4-6,13H,7H2,1-3H3;5-8H,1-4H3;5-6,8H,4,7H2,1-3H3;5-7,12H,1-4H3;5-8H,1-4H3;4-6,9,12H,7H2,1-3H3;4-5,8H,6-7H2,1-3H3;5-6,8H,4,7H2,1-3H3;6-8H,4-5H2,1-3H3;2*5-7,12H,1-4H3.

What are the key properties of 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene?

2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene has a molecular weight of 2485.28 g/mol, XLogP of 34.94, 35 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-methylphenol;1,3-diethoxy-5-methylbenzene;2-(2,4-dimethylphenyl)propan-2-ol;2-(2-fluoro-4-methylphenyl)-2-methylpropan-1-ol;1-(2-methoxyethoxy)-2,4-dimethylbenzene;2-(2-methoxy-4-methylphenyl)propan-1-ol;2-(2-methoxy-4-methylphenyl)propan-2-ol;2-methoxy-4-methyl-1-propan-2-yloxybenzene;2-methoxy-4-methyl-1-propoxybenzene;4-methyl-2-methylsulfonyl-1-propan-2-yloxybenzene;4-methyl-2-methylsulfonyl-1-propoxybenzene;4-methyl-1-propan-2-yloxy-2-(trifluoromethyl)benzene;4-methyl-1-propoxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 158797874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).