3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol

C54H62O9 — CID 71311169

IUPAC3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
SMILESCC(C)(c1ccccc1)c1ccc(OCC(O)COc2ccc(C(C)(C)c3ccc(OCC(O)COc4ccc(C(C)(C)c5ccc(OCC(O)CO)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H62O9/c1-52(2,38-10-8-7-9-11-38)39-12-24-48(25-13-39)60-34-45(57)35-61-50-28-18-42(19-29-50)54(5,6)43-20-30-51(31-21-43)63-37-46(58)36-62-49-26-16-41(17-27-49)53(3,4)40-14-22-47(23-15-40)59-33-44(56)32-55/h7-31,44-46,55-58H,32-37H2,1-6H3
InChIKeyXZLNMOVIMRLOCV-UHFFFAOYSA-N
MW855.08 g/mol
LogP9.03
Rot. Bonds22

About 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol

3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol (PubChem CID 71311169) has the molecular formula C54H62O9 and a molecular weight of 855.08 g/mol. Its IUPAC name is 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
PubChem CID71311169
Molecular FormulaC54H62O9
Molecular Weight855.08 g/mol
Exact Mass854.44
IUPAC Name3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
SMILESCC(C)(c1ccccc1)c1ccc(OCC(O)COc2ccc(C(C)(C)c3ccc(OCC(O)COc4ccc(C(C)(C)c5ccc(OCC(O)CO)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H62O9/c1-52(2,38-10-8-7-9-11-38)39-12-24-48(25-13-39)60-34-45(57)35-61-50-28-18-42(19-29-50)54(5,6)43-20-30-51(31-21-43)63-37-46(58)36-62-49-26-16-41(17-27-49)53(3,4)40-14-22-47(23-15-40)59-33-44(56)32-55/h7-31,44-46,55-58H,32-37H2,1-6H3
InChIKeyXZLNMOVIMRLOCV-UHFFFAOYSA-N
XLogP9.03
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.08
LogP ≤ 59.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol (CID 71311169) is 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol is CC(C)(c1ccccc1)c1ccc(OCC(O)COc2ccc(C(C)(C)c3ccc(OCC(O)COc4ccc(C(C)(C)c5ccc(OCC(O)CO)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol?
The InChIKey is XZLNMOVIMRLOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H62O9/c1-52(2,38-10-8-7-9-11-38)39-12-24-48(25-13-39)60-34-45(57)35-61-50-28-18-42(19-29-50)54(5,6)43-20-30-51(31-21-43)63-37-46(58)36-62-49-26-16-41(17-27-49)53(3,4)40-14-22-47(23-15-40)59-33-44(56)32-55/h7-31,44-46,55-58H,32-37H2,1-6H3.
What are the key properties of 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol?
3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol has a molecular weight of 855.08 g/mol, XLogP of 9.03, 22 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 71311169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).