2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol

C43H56O11 — CID 142975511

About 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol

2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol (PubChem CID 142975511) has the molecular formula C43H56O11 and a molecular weight of 748.91 g/mol. Its IUPAC name is 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol.

Molecular Properties

• Compound Name: 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol
• PubChem CID: 142975511
• Molecular Formula: C43H56O11
• Molecular Weight: 748.91 g/mol
• Exact Mass: 748.38
• IUPAC Name: 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol
• SMILES: CO.COCOc1ccc(C(O)C(C)Oc2ccc(C3OC(c4ccc(OC(C)Cc5ccc(OC)c(OC)c5)c(OC)c4)C(C)C3C)cc2OC)cc1
• InChI: InChI=1S/C42H52O10.CH4O/c1-25(20-29-10-17-34(45-6)37(21-29)46-7)50-35-18-13-31(22-38(35)47-8)41-26(2)27(3)42(52-41)32-14-19-36(39(23-32)48-9)51-28(4)40(43)30-11-15-33(16-12-30)49-24-44-5;1-2/h10-19,21-23,25-28,40-43H,20,24H2,1-9H3;2H,1H3
• InChIKey: QUXONFXPYHHZJO-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 123.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	748.91
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol?

The IUPAC name of 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol (CID 142975511) is 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol.

What is the SMILES notation for 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol?

The canonical SMILES for 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol is CO.COCOc1ccc(C(O)C(C)Oc2ccc(C3OC(c4ccc(OC(C)Cc5ccc(OC)c(OC)c5)c(OC)c4)C(C)C3C)cc2OC)cc1.

What is the InChIKey of 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol?

The InChIKey is QUXONFXPYHHZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52O10.CH4O/c1-25(20-29-10-17-34(45-6)37(21-29)46-7)50-35-18-13-31(22-38(35)47-8)41-26(2)27(3)42(52-41)32-14-19-36(39(23-32)48-9)51-28(4)40(43)30-11-15-33(16-12-30)49-24-44-5;1-2/h10-19,21-23,25-28,40-43H,20,24H2,1-9H3;2H,1H3.

What are the key properties of 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol?

2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol has a molecular weight of 748.91 g/mol, XLogP of 7.91, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-[4-(methoxymethoxy)phenyl]propan-1-ol;methanol is sourced from PubChem (CID 142975511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).