2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol

C36H34O5 — CID 127041816

About 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol

2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol (PubChem CID 127041816) has the molecular formula C36H34O5 and a molecular weight of 546.66 g/mol. Its IUPAC name is 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol.

Molecular Properties

• Compound Name: 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol
• PubChem CID: 127041816
• Molecular Formula: C36H34O5
• Molecular Weight: 546.66 g/mol
• Exact Mass: 546.24
• IUPAC Name: 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol
• SMILES: C=CCc1ccc(O)c(-c2cc(O[C@H]3CCc4cc(CC=C)cc(-c5cc(CC=C)ccc5O)c4O3)ccc2O)c1
• InChI: InChI=1S/C36H34O5/c1-4-7-23-10-14-32(37)28(19-23)30-22-27(13-16-34(30)39)40-35-17-12-26-18-25(9-6-3)21-31(36(26)41-35)29-20-24(8-5-2)11-15-33(29)38/h4-6,10-11,13-16,18-22,35,37-39H,1-3,7-9,12,17H2/t35-/m1/s1
• InChIKey: XMFSEKNIXLPBTG-PGUFJCEWSA-N
• XLogP: 8.05
• TPSA: 79.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.66
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol?

The IUPAC name of 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol (CID 127041816) is 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol.

What is the SMILES notation for 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol?

The canonical SMILES for 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2cc(O[C@H]3CCc4cc(CC=C)cc(-c5cc(CC=C)ccc5O)c4O3)ccc2O)c1.

What is the InChIKey of 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol?

The InChIKey is XMFSEKNIXLPBTG-PGUFJCEWSA-N. The full InChI is InChI=1S/C36H34O5/c1-4-7-23-10-14-32(37)28(19-23)30-22-27(13-16-34(30)39)40-35-17-12-26-18-25(9-6-3)21-31(36(26)41-35)29-20-24(8-5-2)11-15-33(29)38/h4-6,10-11,13-16,18-22,35,37-39H,1-3,7-9,12,17H2/t35-/m1/s1.

What are the key properties of 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol?

2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol has a molecular weight of 546.66 g/mol, XLogP of 8.05, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenoxy]-6-prop-2-enyl-3,4-dihydro-2H-chromen-8-yl]-4-prop-2-enylphenol is sourced from PubChem (CID 127041816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).