(E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate

C109H116O23 — CID 159758982

About (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate

(E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate (PubChem CID 159758982) has the molecular formula C109H116O23 and a molecular weight of 1794.10 g/mol. Its IUPAC name is (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate.

Molecular Properties

• Compound Name: (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate
• PubChem CID: 159758982
• Molecular Formula: C109H116O23
• Molecular Weight: 1794.10 g/mol
• Exact Mass: 1792.79
• IUPAC Name: (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate
• SMILES: CC1(C)C2CCC1(C)C(OC(=O)/C=C/c1ccc3c(c1)OCO3)C2.CC1(C)C2CCC1(C)C(OC(=O)/C=C/c1ccccc1)C2.COc1cc(CO)cc(O)c1C(=O)/C=C/c1ccccc1.COc1cc(CO)cc2c1C(=O)CC(c1ccccc1)O2.COc1ccc(C2CC(=O)c3c(OC)cc(C)cc3O2)cc1.COc1ccc(C2CC(=O)c3c(OC)cc(CO)cc3O2)cc1
• InChI: InChI=1S/C20H24O4.C19H24O2.C18H18O5.C18H18O4.2C17H16O4/c1-19(2)14-8-9-20(19,3)17(11-14)24-18(21)7-5-13-4-6-15-16(10-13)23-12-22-15;1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14;1-21-13-5-3-12(4-6-13)15-9-14(20)18-16(22-2)7-11(10-19)8-17(18)23-15;1-11-8-16(21-3)18-14(19)10-15(22-17(18)9-11)12-4-6-13(20-2)7-5-12;1-20-15-7-11(10-18)8-16-17(15)13(19)9-14(21-16)12-5-3-2-4-6-12;1-21-16-10-13(11-18)9-15(20)17(16)14(19)8-7-12-5-3-2-4-6-12/h4-7,10,14,17H,8-9,11-12H2,1-3H3;4-10,15-16H,11-13H2,1-3H3;3-8,15,19H,9-10H2,1-2H3;4-9,15H,10H2,1-3H3;2-8,14,18H,9-10H2,1H3;2-10,18,20H,11H2,1H3/b7-5+;10-9+;;;;8-7+
• InChIKey: NEQBFXCATAFKQL-HPKMRCDSSA-N
• XLogP: 20.95
• TPSA: 303.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1794.10
LogP ≤ 5	20.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate?

The IUPAC name of (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate (CID 159758982) is (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate.

What is the SMILES notation for (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate?

The canonical SMILES for (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate is CC1(C)C2CCC1(C)C(OC(=O)/C=C/c1ccc3c(c1)OCO3)C2.CC1(C)C2CCC1(C)C(OC(=O)/C=C/c1ccccc1)C2.COc1cc(CO)cc(O)c1C(=O)/C=C/c1ccccc1.COc1cc(CO)cc2c1C(=O)CC(c1ccccc1)O2.COc1ccc(C2CC(=O)c3c(OC)cc(C)cc3O2)cc1.COc1ccc(C2CC(=O)c3c(OC)cc(CO)cc3O2)cc1.

What is the InChIKey of (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate?

The InChIKey is NEQBFXCATAFKQL-HPKMRCDSSA-N. The full InChI is InChI=1S/C20H24O4.C19H24O2.C18H18O5.C18H18O4.2C17H16O4/c1-19(2)14-8-9-20(19,3)17(11-14)24-18(21)7-5-13-4-6-15-16(10-13)23-12-22-15;1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14;1-21-13-5-3-12(4-6-13)15-9-14(20)18-16(22-2)7-11(10-19)8-17(18)23-15;1-11-8-16(21-3)18-14(19)10-15(22-17(18)9-11)12-4-6-13(20-2)7-5-12;1-20-15-7-11(10-18)8-16-17(15)13(19)9-14(21-16)12-5-3-2-4-6-12;1-21-16-10-13(11-18)9-15(20)17(16)14(19)8-7-12-5-3-2-4-6-12/h4-7,10,14,17H,8-9,11-12H2,1-3H3;4-10,15-16H,11-13H2,1-3H3;3-8,15,19H,9-10H2,1-2H3;4-9,15H,10H2,1-3H3;2-8,14,18H,9-10H2,1H3;2-10,18,20H,11H2,1H3/b7-5+;10-9+;;;;8-7+.

What are the key properties of (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate?

(E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate has a molecular weight of 1794.10 g/mol, XLogP of 20.95, 21 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]-3-phenylprop-2-en-1-one;7-(hydroxymethyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-(hydroxymethyl)-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;5-methoxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 159758982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).