1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene

C136H164O12 — CID 161095354

IUPAC1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene
SMILESC.C.COc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OC)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC)cc3)c2)cc1.COc1ccc(C(C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C2(c3ccc(OC)cc3)CC(C)CC(C)(C)C2)cc1.COc1ccc(C2(c3ccc(OC)cc3)CCCCC2)cc1
InChIInChI=1S/2C26H30O2.C23H30O2.C22H22O2.C20H24O2.C17H20O2.2CH4/c1-25(2,21-11-15-23(27-5)16-12-21)19-7-9-20(10-8-19)26(3,4)22-13-17-24(28-6)18-14-22;1-25(2,19-10-14-23(27-5)15-11-19)21-8-7-9-22(18-21)26(3,4)20-12-16-24(28-6)17-13-20;1-17-14-22(2,3)16-23(15-17,18-6-10-20(24-4)11-7-18)19-8-12-21(25-5)13-9-19;1-22(17-7-5-4-6-8-17,18-9-13-20(23-2)14-10-18)19-11-15-21(24-3)16-12-19;1-21-18-10-6-16(7-11-18)20(14-4-3-5-15-20)17-8-12-19(22-2)13-9-17;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;;/h2*7-18H,1-6H3;6-13,17H,14-16H2,1-5H3;4-16H,1-3H3;6-13H,3-5,14-15H2,1-2H3;5-12H,1-4H3;2*1H4
InChIKeyUHSKDGRGNZVVKX-UHFFFAOYSA-N
MW1990.80 g/mol
LogP33.86
Rot. Bonds29

About 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene

1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene (PubChem CID 161095354) has the molecular formula C136H164O12 and a molecular weight of 1990.80 g/mol. Its IUPAC name is 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene.

Molecular Properties

Compound Name1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene
PubChem CID161095354
Molecular FormulaC136H164O12
Molecular Weight1990.80 g/mol
Exact Mass1989.22
IUPAC Name1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene
SMILESC.C.COc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OC)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC)cc3)c2)cc1.COc1ccc(C(C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C2(c3ccc(OC)cc3)CC(C)CC(C)(C)C2)cc1.COc1ccc(C2(c3ccc(OC)cc3)CCCCC2)cc1
InChIInChI=1S/2C26H30O2.C23H30O2.C22H22O2.C20H24O2.C17H20O2.2CH4/c1-25(2,21-11-15-23(27-5)16-12-21)19-7-9-20(10-8-19)26(3,4)22-13-17-24(28-6)18-14-22;1-25(2,19-10-14-23(27-5)15-11-19)21-8-7-9-22(18-21)26(3,4)20-12-16-24(28-6)17-13-20;1-17-14-22(2,3)16-23(15-17,18-6-10-20(24-4)11-7-18)19-8-12-21(25-5)13-9-19;1-22(17-7-5-4-6-8-17,18-9-13-20(23-2)14-10-18)19-11-15-21(24-3)16-12-19;1-21-18-10-6-16(7-11-18)20(14-4-3-5-15-20)17-8-12-19(22-2)13-9-17;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;;/h2*7-18H,1-6H3;6-13,17H,14-16H2,1-5H3;4-16H,1-3H3;6-13H,3-5,14-15H2,1-2H3;5-12H,1-4H3;2*1H4
InChIKeyUHSKDGRGNZVVKX-UHFFFAOYSA-N
XLogP33.86
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001990.80
LogP ≤ 533.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene?
The IUPAC name of 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene (CID 161095354) is 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene.
What is the SMILES notation for 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene?
The canonical SMILES for 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene is C.C.COc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OC)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC)cc3)c2)cc1.COc1ccc(C(C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C2(c3ccc(OC)cc3)CC(C)CC(C)(C)C2)cc1.COc1ccc(C2(c3ccc(OC)cc3)CCCCC2)cc1.
What is the InChIKey of 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene?
The InChIKey is UHSKDGRGNZVVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H30O2.C23H30O2.C22H22O2.C20H24O2.C17H20O2.2CH4/c1-25(2,21-11-15-23(27-5)16-12-21)19-7-9-20(10-8-19)26(3,4)22-13-17-24(28-6)18-14-22;1-25(2,19-10-14-23(27-5)15-11-19)21-8-7-9-22(18-21)26(3,4)20-12-16-24(28-6)17-13-20;1-17-14-22(2,3)16-23(15-17,18-6-10-20(24-4)11-7-18)19-8-12-21(25-5)13-9-19;1-22(17-7-5-4-6-8-17,18-9-13-20(23-2)14-10-18)19-11-15-21(24-3)16-12-19;1-21-18-10-6-16(7-11-18)20(14-4-3-5-15-20)17-8-12-19(22-2)13-9-17;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;;/h2*7-18H,1-6H3;6-13,17H,14-16H2,1-5H3;4-16H,1-3H3;6-13H,3-5,14-15H2,1-2H3;5-12H,1-4H3;2*1H4.
What are the key properties of 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene?
1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene has a molecular weight of 1990.80 g/mol, XLogP of 33.86, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene is sourced from PubChem (CID 161095354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).