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

C93H104O16 — CID 159538273

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

(E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 159538273) has the molecular formula C93H104O16 and a molecular weight of 1477.84 g/mol. Its IUPAC name is (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one
• PubChem CID: 159538273
• Molecular Formula: C93H104O16
• Molecular Weight: 1477.84 g/mol
• Exact Mass: 1476.73
• IUPAC Name: (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one
• SMILES: C.C=CCOc1ccc(C(=O)/C=C/c2ccc(C)c(C)c2OC)c(OCC=C)c1.COc1c(/C=C/C(=O)c2ccc(C)cc2OCc2ccccc2)ccc(C)c1C.COc1c(/C=C/C(=O)c2ccc(OC(C)C)cc2OC(C)C)ccc(C)c1C.COc1ccc(/C=C/C(=O)c2ccc(O)cc2O)c(OC)c1C
• InChI: InChI=1S/C26H26O3.C24H30O4.C24H26O4.C18H18O5.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;/h5-16H,17H2,1-4H3;8-16H,1-7H3;6-13,16H,1-2,14-15H2,3-5H3;4-10,19,21H,1-3H3;1H4/b15-13+;2*13-10+;8-4+
• InChIKey: MDWIQMXJGUDJHX-SZFAITGXSA-N
• XLogP: 21.17
• TPSA: 201.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1477.84
LogP ≤ 5	21.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one?

The IUPAC name of (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one (CID 159538273) is (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one.

What is the SMILES notation for (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one?

The canonical SMILES for (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one is C.C=CCOc1ccc(C(=O)/C=C/c2ccc(C)c(C)c2OC)c(OCC=C)c1.COc1c(/C=C/C(=O)c2ccc(C)cc2OCc2ccccc2)ccc(C)c1C.COc1c(/C=C/C(=O)c2ccc(OC(C)C)cc2OC(C)C)ccc(C)c1C.COc1ccc(/C=C/C(=O)c2ccc(O)cc2O)c(OC)c1C.

What is the InChIKey of (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one?

The InChIKey is MDWIQMXJGUDJHX-SZFAITGXSA-N. The full InChI is InChI=1S/C26H26O3.C24H30O4.C24H26O4.C18H18O5.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;/h5-16H,17H2,1-4H3;8-16H,1-7H3;6-13,16H,1-2,14-15H2,3-5H3;4-10,19,21H,1-3H3;1H4/b15-13+;2*13-10+;8-4+;.

What are the key properties of (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one?

(E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 1477.84 g/mol, XLogP of 21.17, 30 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[2,4-bis(prop-2-enoxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one;(E)-1-[2,4-di(propan-2-yloxy)phenyl]-3-(2-methoxy-3,4-dimethylphenyl)prop-2-en-1-one;methane;(E)-3-(2-methoxy-3,4-dimethylphenyl)-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 159538273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).