4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol

C33H32O6 — CID 155525507

About 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol

4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol (PubChem CID 155525507) has the molecular formula C33H32O6 and a molecular weight of 524.61 g/mol. Its IUPAC name is 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol.

Molecular Properties

• Compound Name: 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol
• PubChem CID: 155525507
• Molecular Formula: C33H32O6
• Molecular Weight: 524.61 g/mol
• Exact Mass: 524.22
• IUPAC Name: 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol
• SMILES: COc1ccc2c(c1)O[C@@H](c1ccc(OC)cc1OC)[C@H](Cc1ccc(O)cc1)[C@H]2/C=C/c1ccc(O)cc1
• InChI: InChI=1S/C33H32O6/c1-36-25-14-17-29(31(19-25)38-3)33-30(18-22-6-11-24(35)12-7-22)27(15-8-21-4-9-23(34)10-5-21)28-16-13-26(37-2)20-32(28)39-33/h4-17,19-20,27,30,33-35H,18H2,1-3H3/b15-8+/t27-,30+,33-/m0/s1
• InChIKey: TZWAMJSOSOMPLI-JBGSNMCZSA-N
• XLogP: 6.91
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.61
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol?

The IUPAC name of 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol (CID 155525507) is 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol.

What is the SMILES notation for 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol?

The canonical SMILES for 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol is COc1ccc2c(c1)O[C@@H](c1ccc(OC)cc1OC)[C@H](Cc1ccc(O)cc1)[C@H]2/C=C/c1ccc(O)cc1.

What is the InChIKey of 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol?

The InChIKey is TZWAMJSOSOMPLI-JBGSNMCZSA-N. The full InChI is InChI=1S/C33H32O6/c1-36-25-14-17-29(31(19-25)38-3)33-30(18-22-6-11-24(35)12-7-22)27(15-8-21-4-9-23(34)10-5-21)28-16-13-26(37-2)20-32(28)39-33/h4-17,19-20,27,30,33-35H,18H2,1-3H3/b15-8+/t27-,30+,33-/m0/s1.

What are the key properties of 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol?

4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol has a molecular weight of 524.61 g/mol, XLogP of 6.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2R,3R,4R)-2-(2,4-dimethoxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol is sourced from PubChem (CID 155525507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).