2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol

C22H27IO7 — CID 18928874

About 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol

2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol (PubChem CID 18928874) has the molecular formula C22H27IO7 and a molecular weight of 530.36 g/mol. Its IUPAC name is 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol
• PubChem CID: 18928874
• Molecular Formula: C22H27IO7
• Molecular Weight: 530.36 g/mol
• Exact Mass: 530.08
• IUPAC Name: 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol
• SMILES: COc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc(I)c1OCCO
• InChI: InChI=1S/C22H27IO7/c1-25-18-10-13(9-15(23)21(18)29-8-7-24)16-5-6-17(30-16)14-11-19(26-2)22(28-4)20(12-14)27-3/h9-12,16-17,24H,5-8H2,1-4H3
• InChIKey: RXNSCRLBANUKKW-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.36
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol?

The IUPAC name of 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol (CID 18928874) is 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol.

What is the SMILES notation for 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol?

The canonical SMILES for 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol is COc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc(I)c1OCCO.

What is the InChIKey of 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol?

The InChIKey is RXNSCRLBANUKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27IO7/c1-25-18-10-13(9-15(23)21(18)29-8-7-24)16-5-6-17(30-16)14-11-19(26-2)22(28-4)20(12-14)27-3/h9-12,16-17,24H,5-8H2,1-4H3.

What are the key properties of 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol?

2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol has a molecular weight of 530.36 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol is sourced from PubChem (CID 18928874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).