2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol

C26H26O5 — CID 121242104

About 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol

2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol (PubChem CID 121242104) has the molecular formula C26H26O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol.

Molecular Properties

• Compound Name: 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol
• PubChem CID: 121242104
• Molecular Formula: C26H26O5
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.18
• IUPAC Name: 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol
• SMILES: COc1cccc(C2=C(C)c3cc(OC)ccc3OC2c2ccc(OCCO)cc2)c1
• InChI: InChI=1S/C26H26O5/c1-17-23-16-22(29-3)11-12-24(23)31-26(18-7-9-20(10-8-18)30-14-13-27)25(17)19-5-4-6-21(15-19)28-2/h4-12,15-16,26-27H,13-14H2,1-3H3
• InChIKey: BFFDZEMKPZCUSK-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol?

The IUPAC name of 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol (CID 121242104) is 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol.

What is the SMILES notation for 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol?

The canonical SMILES for 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol is COc1cccc(C2=C(C)c3cc(OC)ccc3OC2c2ccc(OCCO)cc2)c1.

What is the InChIKey of 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol?

The InChIKey is BFFDZEMKPZCUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O5/c1-17-23-16-22(29-3)11-12-24(23)31-26(18-7-9-20(10-8-18)30-14-13-27)25(17)19-5-4-6-21(15-19)28-2/h4-12,15-16,26-27H,13-14H2,1-3H3.

What are the key properties of 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol?

2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol has a molecular weight of 418.49 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-methoxy-3-(3-methoxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethanol is sourced from PubChem (CID 121242104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).