1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate

C136H188ClNO24 — CID 158506829

About 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate

1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate (PubChem CID 158506829) has the molecular formula C136H188ClNO24 and a molecular weight of 2256.44 g/mol. Its IUPAC name is 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate
• PubChem CID: 158506829
• Molecular Formula: C136H188ClNO24
• Molecular Weight: 2256.44 g/mol
• Exact Mass: 2254.32
• IUPAC Name: 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C#N)C(=O)OC(C)(CC)c1ccc(O)cc1.CCC(C)(C)C(=O)OC(C)(C)c1ccc(O)cc1.CCC(C)(C)C(=O)OC(C)(C)c1ccc(OC2CCCCO2)cc1.CCC(C)(C)C(=O)OC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCC(C)(Cl)C(=O)OC(C)(C)c1ccc(O)cc1.CCC(C)C(=O)OC(C)(C)c1cc(C)c(O)c(C)c1.CCC(C)C(=O)OC(C)(C)c1cccc(C)c1O.CCC(C)c1ccc(OC(C)(C)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C20H30O4.C20H24O4.C20H26O.C16H21NO3.C16H24O3.2C15H22O3.C14H19ClO3/c1-6-19(2,3)18(21)24-20(4,5)15-10-12-16(13-11-15)23-17-9-7-8-14-22-17;1-5-19(2,3)18(23)24-20(4,14-6-10-16(21)11-7-14)15-8-12-17(22)13-9-15;1-6-16(3)17-9-13-19(14-10-17)21-20(4,5)18-11-7-15(2)8-12-18;1-5-15(3,11-17)14(19)20-16(4,6-2)12-7-9-13(18)10-8-12;1-7-10(2)15(18)19-16(5,6)13-8-11(3)14(17)12(4)9-13;1-6-14(2,3)13(17)18-15(4,5)11-7-9-12(16)10-8-11;1-6-10(2)14(17)18-15(4,5)12-9-7-8-11(3)13(12)16;1-5-14(4,15)12(17)18-13(2,3)10-6-8-11(16)9-7-10/h10-13,17H,6-9,14H2,1-5H3;6-13,21-22H,5H2,1-4H3;7-14,16H,6H2,1-5H3;7-10,18H,5-6H2,1-4H3;8-10,17H,7H2,1-6H3;2*7-10,16H,6H2,1-5H3;6-9,16H,5H2,1-4H3
• InChIKey: HKOGNNLBOQRGJV-UHFFFAOYSA-N
• XLogP: 33.01
• TPSA: 377.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2256.44
LogP ≤ 5	33.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate?

The IUPAC name of 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate (CID 158506829) is 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate.

What is the SMILES notation for 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate?

The canonical SMILES for 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C#N)C(=O)OC(C)(CC)c1ccc(O)cc1.CCC(C)(C)C(=O)OC(C)(C)c1ccc(O)cc1.CCC(C)(C)C(=O)OC(C)(C)c1ccc(OC2CCCCO2)cc1.CCC(C)(C)C(=O)OC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCC(C)(Cl)C(=O)OC(C)(C)c1ccc(O)cc1.CCC(C)C(=O)OC(C)(C)c1cc(C)c(O)c(C)c1.CCC(C)C(=O)OC(C)(C)c1cccc(C)c1O.CCC(C)c1ccc(OC(C)(C)c2ccc(C)cc2)cc1.

What is the InChIKey of 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate?

The InChIKey is HKOGNNLBOQRGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4.C20H24O4.C20H26O.C16H21NO3.C16H24O3.2C15H22O3.C14H19ClO3/c1-6-19(2,3)18(21)24-20(4,5)15-10-12-16(13-11-15)23-17-9-7-8-14-22-17;1-5-19(2,3)18(23)24-20(4,14-6-10-16(21)11-7-14)15-8-12-17(22)13-9-15;1-6-16(3)17-9-13-19(14-10-17)21-20(4,5)18-11-7-15(2)8-12-18;1-5-15(3,11-17)14(19)20-16(4,6-2)12-7-9-13(18)10-8-12;1-7-10(2)15(18)19-16(5,6)13-8-11(3)14(17)12(4)9-13;1-6-14(2,3)13(17)18-15(4,5)11-7-9-12(16)10-8-11;1-6-10(2)14(17)18-15(4,5)12-9-7-8-11(3)13(12)16;1-5-14(4,15)12(17)18-13(2,3)10-6-8-11(16)9-7-10/h10-13,17H,6-9,14H2,1-5H3;6-13,21-22H,5H2,1-4H3;7-14,16H,6H2,1-5H3;7-10,18H,5-6H2,1-4H3;8-10,17H,7H2,1-6H3;2*7-10,16H,6H2,1-5H3;6-9,16H,5H2,1-4H3.

What are the key properties of 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate?

1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 2256.44 g/mol, XLogP of 33.01, 37 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 158506829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).