1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol

C57H66O10 — CID 167069820

About 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol

1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol (PubChem CID 167069820) has the molecular formula C57H66O10 and a molecular weight of 911.14 g/mol. Its IUPAC name is 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol
• PubChem CID: 167069820
• Molecular Formula: C57H66O10
• Molecular Weight: 911.14 g/mol
• Exact Mass: 910.47
• IUPAC Name: 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol
• SMILES: CCOc1c(COC)cc(-c2cc(COC)c(OCC(O)COc3ccc(C4(c5ccc(OCC(O)CC(C)(C)C)cc5)c5ccccc5-c5ccccc54)cc3)c(COC)c2)cc1COC
• InChI: InChI=1S/C57H66O10/c1-9-64-54-40(31-60-5)26-38(27-41(54)32-61-6)39-28-42(33-62-7)55(43(29-39)34-63-8)67-37-47(59)36-66-49-24-20-45(21-25-49)57(52-16-12-10-14-50(52)51-15-11-13-17-53(51)57)44-18-22-48(23-19-44)65-35-46(58)30-56(2,3)4/h10-29,46-47,58-59H,9,30-37H2,1-8H3
• InChIKey: BTFWILVGMZSJPX-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 114.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.14
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol?

The IUPAC name of 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol (CID 167069820) is 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol.

What is the SMILES notation for 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol?

The canonical SMILES for 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol is CCOc1c(COC)cc(-c2cc(COC)c(OCC(O)COc3ccc(C4(c5ccc(OCC(O)CC(C)(C)C)cc5)c5ccccc5-c5ccccc54)cc3)c(COC)c2)cc1COC.

What is the InChIKey of 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol?

The InChIKey is BTFWILVGMZSJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H66O10/c1-9-64-54-40(31-60-5)26-38(27-41(54)32-61-6)39-28-42(33-62-7)55(43(29-39)34-63-8)67-37-47(59)36-66-49-24-20-45(21-25-49)57(52-16-12-10-14-50(52)51-15-11-13-17-53(51)57)44-18-22-48(23-19-44)65-35-46(58)30-56(2,3)4/h10-29,46-47,58-59H,9,30-37H2,1-8H3.

What are the key properties of 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol?

1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol has a molecular weight of 911.14 g/mol, XLogP of 10.70, 23 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[9-[4-[3-[4-[4-ethoxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 167069820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).