2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol

C30H32O6 — CID 25231265

About 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol

2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol (PubChem CID 25231265) has the molecular formula C30H32O6 and a molecular weight of 488.58 g/mol. Its IUPAC name is 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol.

Molecular Properties

• Compound Name: 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol
• PubChem CID: 25231265
• Molecular Formula: C30H32O6
• Molecular Weight: 488.58 g/mol
• Exact Mass: 488.22
• IUPAC Name: 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol
• SMILES: C=CCc1ccc(O[C@@H]2Cc3cc(CC=C)cc(OC)c3O[C@H]2c2ccc(O)c(OC)c2)c(OC)c1
• InChI: InChI=1S/C30H32O6/c1-6-8-19-10-13-24(26(15-19)33-4)35-28-18-22-14-20(9-7-2)16-27(34-5)30(22)36-29(28)21-11-12-23(31)25(17-21)32-3/h6-7,10-17,28-29,31H,1-2,8-9,18H2,3-5H3/t28-,29+/m1/s1
• InChIKey: NMNZUBDWSACNNK-WDYNHAJCSA-N
• XLogP: 6.00
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.58
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol?

The IUPAC name of 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol (CID 25231265) is 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol.

What is the SMILES notation for 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol?

The canonical SMILES for 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol is C=CCc1ccc(O[C@@H]2Cc3cc(CC=C)cc(OC)c3O[C@H]2c2ccc(O)c(OC)c2)c(OC)c1.

What is the InChIKey of 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol?

The InChIKey is NMNZUBDWSACNNK-WDYNHAJCSA-N. The full InChI is InChI=1S/C30H32O6/c1-6-8-19-10-13-24(26(15-19)33-4)35-28-18-22-14-20(9-7-2)16-27(34-5)30(22)36-29(28)21-11-12-23(31)25(17-21)32-3/h6-7,10-17,28-29,31H,1-2,8-9,18H2,3-5H3/t28-,29+/m1/s1.

What are the key properties of 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol?

2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol has a molecular weight of 488.58 g/mol, XLogP of 6.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-4-[(2S,3R)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol is sourced from PubChem (CID 25231265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).