1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one

C93H112O16 — CID 159150295

IUPAC1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one
SMILESC.C=CCOc1ccc(C(=O)CCc2ccc(C)c(C)c2OC)c(OCC=C)c1.COc1c(CCC(=O)c2ccc(C)cc2OCc2ccccc2)ccc(C)c1C.COc1c(CCC(=O)c2ccc(OC(C)C)cc2OC(C)C)ccc(C)c1C.COc1ccc(CCC(=O)c2ccc(O)cc2O)c(OC)c1C
InChIInChI=1S/C26H28O3.C24H32O4.C24H28O4.C18H20O5.CH4/c1-18-10-14-23(25(16-18)29-17-21-8-6-5-7-9-21)24(27)15-13-22-12-11-19(2)20(3)26(22)28-4;1-15(2)27-20-11-12-21(23(14-20)28-16(3)4)22(25)13-10-19-9-8-17(5)18(6)24(19)26-7;1-6-14-27-20-11-12-21(23(16-20)28-15-7-2)22(25)13-10-19-9-8-17(3)18(4)24(19)26-5;1-11-17(22-2)9-5-12(18(11)23-3)4-8-15(20)14-7-6-13(19)10-16(14)21;/h5-12,14,16H,13,15,17H2,1-4H3;8-9,11-12,14-16H,10,13H2,1-7H3;6-9,11-12,16H,1-2,10,13-15H2,3-5H3;5-7,9-10,19,21H,4,8H2,1-3H3;1H4
InChIKeyKJEQMLGUUSGTAQ-UHFFFAOYSA-N
MW1485.90 g/mol
LogP20.85
Rot. Bonds34

About 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one

1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one (PubChem CID 159150295) has the molecular formula C93H112O16 and a molecular weight of 1485.90 g/mol. Its IUPAC name is 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one
PubChem CID159150295
Molecular FormulaC93H112O16
Molecular Weight1485.90 g/mol
Exact Mass1484.80
IUPAC Name1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one
SMILESC.C=CCOc1ccc(C(=O)CCc2ccc(C)c(C)c2OC)c(OCC=C)c1.COc1c(CCC(=O)c2ccc(C)cc2OCc2ccccc2)ccc(C)c1C.COc1c(CCC(=O)c2ccc(OC(C)C)cc2OC(C)C)ccc(C)c1C.COc1ccc(CCC(=O)c2ccc(O)cc2O)c(OC)c1C
InChIInChI=1S/C26H28O3.C24H32O4.C24H28O4.C18H20O5.CH4/c1-18-10-14-23(25(16-18)29-17-21-8-6-5-7-9-21)24(27)15-13-22-12-11-19(2)20(3)26(22)28-4;1-15(2)27-20-11-12-21(23(14-20)28-16(3)4)22(25)13-10-19-9-8-17(5)18(6)24(19)26-7;1-6-14-27-20-11-12-21(23(16-20)28-15-7-2)22(25)13-10-19-9-8-17(3)18(4)24(19)26-5;1-11-17(22-2)9-5-12(18(11)23-3)4-8-15(20)14-7-6-13(19)10-16(14)21;/h5-12,14,16H,13,15,17H2,1-4H3;8-9,11-12,14-16H,10,13H2,1-7H3;6-9,11-12,16H,1-2,10,13-15H2,3-5H3;5-7,9-10,19,21H,4,8H2,1-3H3;1H4
InChIKeyKJEQMLGUUSGTAQ-UHFFFAOYSA-N
XLogP20.85
TPSA201.04 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001485.90
LogP ≤ 520.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one (CID 159150295) is 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one is C.C=CCOc1ccc(C(=O)CCc2ccc(C)c(C)c2OC)c(OCC=C)c1.COc1c(CCC(=O)c2ccc(C)cc2OCc2ccccc2)ccc(C)c1C.COc1c(CCC(=O)c2ccc(OC(C)C)cc2OC(C)C)ccc(C)c1C.COc1ccc(CCC(=O)c2ccc(O)cc2O)c(OC)c1C.
What is the InChIKey of 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one?
The InChIKey is KJEQMLGUUSGTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3.C24H32O4.C24H28O4.C18H20O5.CH4/c1-18-10-14-23(25(16-18)29-17-21-8-6-5-7-9-21)24(27)15-13-22-12-11-19(2)20(3)26(22)28-4;1-15(2)27-20-11-12-21(23(14-20)28-16(3)4)22(25)13-10-19-9-8-17(5)18(6)24(19)26-7;1-6-14-27-20-11-12-21(23(16-20)28-15-7-2)22(25)13-10-19-9-8-17(3)18(4)24(19)26-5;1-11-17(22-2)9-5-12(18(11)23-3)4-8-15(20)14-7-6-13(19)10-16(14)21;/h5-12,14,16H,13,15,17H2,1-4H3;8-9,11-12,14-16H,10,13H2,1-7H3;6-9,11-12,16H,1-2,10,13-15H2,3-5H3;5-7,9-10,19,21H,4,8H2,1-3H3;1H4.
What are the key properties of 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one?
1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one has a molecular weight of 1485.90 g/mol, XLogP of 20.85, 34 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane;3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 159150295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).