2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol

C48H48O4 — CID 140958746

IUPAC2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol
SMILESC=CCC(COc1ccc(CCC)cc1-c1cccc(-c2ccccc2)c1O)COc1ccc(CCC)cc1-c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C48H48O4/c1-4-15-34-26-28-45(43(30-34)41-24-13-22-39(47(41)49)37-18-9-7-10-19-37)51-32-36(17-6-3)33-52-46-29-27-35(16-5-2)31-44(46)42-25-14-23-40(48(42)50)38-20-11-8-12-21-38/h6-14,18-31,36,49-50H,3-5,15-17,32-33H2,1-2H3
InChIKeyZSANLXVODICJIV-UHFFFAOYSA-N
MW688.91 g/mol
LogP12.32
Rot. Bonds16

About 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol

2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol (PubChem CID 140958746) has the molecular formula C48H48O4 and a molecular weight of 688.91 g/mol. Its IUPAC name is 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol
PubChem CID140958746
Molecular FormulaC48H48O4
Molecular Weight688.91 g/mol
Exact Mass688.36
IUPAC Name2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol
SMILESC=CCC(COc1ccc(CCC)cc1-c1cccc(-c2ccccc2)c1O)COc1ccc(CCC)cc1-c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C48H48O4/c1-4-15-34-26-28-45(43(30-34)41-24-13-22-39(47(41)49)37-18-9-7-10-19-37)51-32-36(17-6-3)33-52-46-29-27-35(16-5-2)31-44(46)42-25-14-23-40(48(42)50)38-20-11-8-12-21-38/h6-14,18-31,36,49-50H,3-5,15-17,32-33H2,1-2H3
InChIKeyZSANLXVODICJIV-UHFFFAOYSA-N
XLogP12.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.91
LogP ≤ 512.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol
CID 140958801
carbanide;2-[2-[2-[[4-ethyl-2-(2-hydroxy-3-phenylphenyl)phenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol;2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-methylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol;2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol;tris(zirconium(2+))
CID 162221907
2-[2-[2-[[2-(2-hydroxy-3-naphthalen-1-ylphenyl)phenoxy]methyl]pent-4-enoxy]phenyl]-6-naphthalen-1-ylphenol
CID 140958789
2-[5-ethyl-2-[3-[N-methyl-2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol
CID 153466682
2-[5-ethyl-2-[3-[4-methyl-2,6-di(propan-2-yl)anilino]propoxy]phenyl]-6-phenylphenol
CID 153466754
2-methoxy-6-(4-propylphenyl)phenol
CID 83130224
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
1-phenyl-3-propylbenzene
CID 4110465
2-methyl-4-(4-pentoxy-3-phenylphenyl)butanoic acid
CID 174337519
methyl 4-[4-(2-hydroxybutoxy)-3-phenylphenyl]butanoate
CID 22616555
(2-phenyl-4-propylphenyl) (4-propylphenyl) hydrogen phosphate
CID 139830471
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol?
The IUPAC name of 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol (CID 140958746) is 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol.
What is the SMILES notation for 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol?
The canonical SMILES for 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol is C=CCC(COc1ccc(CCC)cc1-c1cccc(-c2ccccc2)c1O)COc1ccc(CCC)cc1-c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol?
The InChIKey is ZSANLXVODICJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48O4/c1-4-15-34-26-28-45(43(30-34)41-24-13-22-39(47(41)49)37-18-9-7-10-19-37)51-32-36(17-6-3)33-52-46-29-27-35(16-5-2)31-44(46)42-25-14-23-40(48(42)50)38-20-11-8-12-21-38/h6-14,18-31,36,49-50H,3-5,15-17,32-33H2,1-2H3.
What are the key properties of 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol?
2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol has a molecular weight of 688.91 g/mol, XLogP of 12.32, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol is sourced from PubChem (CID 140958746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).