C234H245ClO26 — CID 158901184
1-butoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-ethoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-hexoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;tris(1-(2-methoxyethoxy)-4-[4-(4-methylphenyl)phenyl]benzene);1-(2-methoxyethoxy)-4-[4-(4-pentoxyphenyl)phenyl]benzene;1-(2-methoxyethoxy)-4-[4-(4-propoxyphenyl)phenyl]benzene;2-methoxyethyl 4-(4-phenylphenyl)benzoate (PubChem CID 158901184) has the molecular formula C234H245ClO26 and a molecular weight of 3508.96 g/mol. Its IUPAC name is 1-butoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-ethoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-hexoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;tris(1-(2-methoxyethoxy)-4-[4-(4-methylphenyl)phenyl]benzene);1-(2-methoxyethoxy)-4-[4-(4-pentoxyphenyl)phenyl]benzene;1-(2-methoxyethoxy)-4-[4-(4-propoxyphenyl)phenyl]benzene;2-methoxyethyl 4-(4-phenylphenyl)benzoate.
| Compound Name | 1-butoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-ethoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-hexoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;tris(1-(2-methoxyethoxy)-4-[4-(4-methylphenyl)phenyl]benzene);1-(2-methoxyethoxy)-4-[4-(4-pentoxyphenyl)phenyl]benzene;1-(2-methoxyethoxy)-4-[4-(4-propoxyphenyl)phenyl]benzene;2-methoxyethyl 4-(4-phenylphenyl)benzoate |
|---|---|
| PubChem CID | 158901184 |
| Molecular Formula | C234H245ClO26 |
| Molecular Weight | 3508.96 g/mol |
| Exact Mass | 3505.75 |
| IUPAC Name | 1-butoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-ethoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-hexoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;tris(1-(2-methoxyethoxy)-4-[4-(4-methylphenyl)phenyl]benzene);1-(2-methoxyethoxy)-4-[4-(4-pentoxyphenyl)phenyl]benzene;1-(2-methoxyethoxy)-4-[4-(4-propoxyphenyl)phenyl]benzene;2-methoxyethyl 4-(4-phenylphenyl)benzoate |
| SMILES | CCCCCCOc1ccc(-c2ccc(-c3ccc(OCCOC)cc3)cc2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(OCCOC)cc3)cc2)cc1.CCCCOc1ccc(-c2ccc(-c3ccc(OCCOC)cc3)cc2)cc1.CCCOc1ccc(-c2ccc(-c3ccc(OCCOC)cc3)cc2)cc1.CCOc1ccc(-c2ccc(-c3ccc(OCCOC)cc3)cc2)cc1.COCCOC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.COCCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.COCCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.COCCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.COCCOc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1 |
| InChI | InChI=1S/C27H32O3.C26H30O3.C25H28O3.C24H26O3.C23H24O3.C22H20O3.3C22H22O2.C21H19ClO2/c1-3-4-5-6-19-29-26-15-11-24(12-16-26)22-7-9-23(10-8-22)25-13-17-27(18-14-25)30-21-20-28-2;1-3-4-5-18-28-25-14-10-23(11-15-25)21-6-8-22(9-7-21)24-12-16-26(17-13-24)29-20-19-27-2;1-3-4-17-27-24-13-9-22(10-14-24)20-5-7-21(8-6-20)23-11-15-25(16-12-23)28-19-18-26-2;1-3-16-26-23-12-8-21(9-13-23)19-4-6-20(7-5-19)22-10-14-24(15-11-22)27-18-17-25-2;1-3-25-22-12-8-20(9-13-22)18-4-6-19(7-5-18)21-10-14-23(15-11-21)26-17-16-24-2;1-24-15-16-25-22(23)21-13-11-20(12-14-21)19-9-7-18(8-10-19)17-5-3-2-4-6-17;3*1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-11-13-22(14-12-21)24-16-15-23-2;1-23-14-15-24-21-12-8-19(9-13-21)17-4-2-16(3-5-17)18-6-10-20(22)11-7-18/h7-18H,3-6,19-21H2,1-2H3;6-17H,3-5,18-20H2,1-2H3;5-16H,3-4,17-19H2,1-2H3;4-15H,3,16-18H2,1-2H3;4-15H,3,16-17H2,1-2H3;2-14H,15-16H2,1H3;3*3-14H,15-16H2,1-2H3;2-13H,14-15H2,1H3 |
| InChIKey | JFLUGGVCIUIMEX-UHFFFAOYSA-N |
| XLogP | 57.71 |
| TPSA | 247.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 80 |
| Heavy Atoms | 261 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3508.96 |
| LogP ≤ 5 | 57.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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