1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one

C90H104O20 — CID 159081497

About 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one

1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one (PubChem CID 159081497) has the molecular formula C90H104O20 and a molecular weight of 1505.80 g/mol. Its IUPAC name is 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one
• PubChem CID: 159081497
• Molecular Formula: C90H104O20
• Molecular Weight: 1505.80 g/mol
• Exact Mass: 1504.71
• IUPAC Name: 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one
• SMILES: C/C=C/c1c(C)c(C(=O)CC)c(O)c(/C=C/C)c1O.C/C=C/c1c(O)c(/C=C/C)c2oc(C)c(C)c(=O)c2c1C.C=CCOc1cc(C)c(C(=O)CC)c(OCC=C)c1.C=CCc1c(C)c(C(=O)CC)c(O)c(CC=C)c1O.CCC(=O)c1c(C)cc(O)cc1O.Cc1oc2c(C=O)c(O)c(C=O)c(C)c2c(=O)c1C
• InChI: InChI=1S/C18H20O3.3C16H20O3.C14H12O5.C10H12O3/c1-6-8-13-11(4)15-16(19)10(3)12(5)21-18(15)14(9-7-2)17(13)20;1-5-8-18-13-10-12(4)16(14(17)7-3)15(11-13)19-9-6-2;2*1-5-8-11-10(4)14(13(17)7-3)16(19)12(9-6-2)15(11)18;1-6-8(3)19-14-10(5-16)13(18)9(4-15)7(2)11(14)12(6)17;1-3-8(12)10-6(2)4-7(11)5-9(10)13/h6-9,20H,1-5H3;5-6,10-11H,1-2,7-9H2,3-4H3;5-6,8-9,18-19H,7H2,1-4H3;5-6,18-19H,1-2,7-9H2,3-4H3;4-5,18H,1-3H3;4-5,11,13H,3H2,1-2H3/b8-6+,9-7+;;8-5+,9-6+
• InChIKey: KAXKYRUMISYTND-YHTMYUFMSA-N
• XLogP: 19.78
• TPSA: 343.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1505.80
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one?

The IUPAC name of 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one (CID 159081497) is 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one.

What is the SMILES notation for 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one?

The canonical SMILES for 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one is C/C=C/c1c(C)c(C(=O)CC)c(O)c(/C=C/C)c1O.C/C=C/c1c(O)c(/C=C/C)c2oc(C)c(C)c(=O)c2c1C.C=CCOc1cc(C)c(C(=O)CC)c(OCC=C)c1.C=CCc1c(C)c(C(=O)CC)c(O)c(CC=C)c1O.CCC(=O)c1c(C)cc(O)cc1O.Cc1oc2c(C=O)c(O)c(C=O)c(C)c2c(=O)c1C.

What is the InChIKey of 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one?

The InChIKey is KAXKYRUMISYTND-YHTMYUFMSA-N. The full InChI is InChI=1S/C18H20O3.3C16H20O3.C14H12O5.C10H12O3/c1-6-8-13-11(4)15-16(19)10(3)12(5)21-18(15)14(9-7-2)17(13)20;1-5-8-18-13-10-12(4)16(14(17)7-3)15(11-13)19-9-6-2;2*1-5-8-11-10(4)14(13(17)7-3)16(19)12(9-6-2)15(11)18;1-6-8(3)19-14-10(5-16)13(18)9(4-15)7(2)11(14)12(6)17;1-3-8(12)10-6(2)4-7(11)5-9(10)13/h6-9,20H,1-5H3;5-6,10-11H,1-2,7-9H2,3-4H3;5-6,8-9,18-19H,7H2,1-4H3;5-6,18-19H,1-2,7-9H2,3-4H3;4-5,18H,1-3H3;4-5,11,13H,3H2,1-2H3/b8-6+,9-7+;;8-5+,9-6+;;;.

What are the key properties of 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one?

1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one has a molecular weight of 1505.80 g/mol, XLogP of 19.78, 24 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,4-dihydroxy-6-methyl-3,5-bis[(E)-prop-1-enyl]phenyl]propan-1-one;1-[2,4-dihydroxy-6-methyl-3,5-bis(prop-2-enyl)phenyl]propan-1-one;1-(2,4-dihydroxy-6-methylphenyl)propan-1-one;7-hydroxy-2,3,5-trimethyl-6,8-bis[(E)-prop-1-enyl]chromen-4-one;7-hydroxy-2,3,5-trimethyl-4-oxochromene-6,8-dicarbaldehyde;1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one is sourced from PubChem (CID 159081497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).