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

C47H46O4 — CID 140958801

IUPAC2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol
SMILESC=CCC(COc1ccc(CC)cc1-c1cccc(-c2ccccc2)c1O)COc1ccc(CCC)cc1-c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C47H46O4/c1-4-15-34-26-28-45(43(30-34)41-24-14-22-39(47(41)49)37-19-11-8-12-20-37)51-32-35(16-5-2)31-50-44-27-25-33(6-3)29-42(44)40-23-13-21-38(46(40)48)36-17-9-7-10-18-36/h5,7-14,17-30,35,48-49H,2,4,6,15-16,31-32H2,1,3H3
InChIKeyUDSMRYXZPHKAAA-UHFFFAOYSA-N
MW674.88 g/mol
LogP11.93
Rot. Bonds15

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

2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol (PubChem CID 140958801) has the molecular formula C47H46O4 and a molecular weight of 674.88 g/mol. Its IUPAC name is 2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol
PubChem CID140958801
Molecular FormulaC47H46O4
Molecular Weight674.88 g/mol
Exact Mass674.34
IUPAC Name2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol
SMILESC=CCC(COc1ccc(CC)cc1-c1cccc(-c2ccccc2)c1O)COc1ccc(CCC)cc1-c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C47H46O4/c1-4-15-34-26-28-45(43(30-34)41-24-14-22-39(47(41)49)37-19-11-8-12-20-37)51-32-35(16-5-2)31-50-44-27-25-33(6-3)29-42(44)40-23-13-21-38(46(40)48)36-17-9-7-10-18-36/h5,7-14,17-30,35,48-49H,2,4,6,15-16,31-32H2,1,3H3
InChIKeyUDSMRYXZPHKAAA-UHFFFAOYSA-N
XLogP11.93
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.88
LogP ≤ 511.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]-5-propylphenyl]-6-phenylphenol
CID 140958746
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-methyl-4-(4-pentoxy-3-phenylphenyl)butanoic acid
CID 174337519
[2,6-di(propan-2-yl)phenyl]-[3-[4-ethyl-2-(2-hydroxy-5-methyl-3-phenylphenyl)phenoxy]propyl]azanide;methanidylbenzene;zirconium(3+)
CID 153466745
2-methoxy-6-(4-propylphenyl)phenol
CID 83130224
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
1-phenyl-3-propylbenzene
CID 4110465
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
methyl 4-[4-(2-hydroxybutoxy)-3-phenylphenyl]butanoate
CID 22616555

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol?
The IUPAC name of 2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol (CID 140958801) is 2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol.
What is the SMILES notation for 2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol?
The canonical SMILES for 2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol is C=CCC(COc1ccc(CC)cc1-c1cccc(-c2ccccc2)c1O)COc1ccc(CCC)cc1-c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol?
The InChIKey is UDSMRYXZPHKAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46O4/c1-4-15-34-26-28-45(43(30-34)41-24-14-22-39(47(41)49)37-19-11-8-12-20-37)51-32-35(16-5-2)31-50-44-27-25-33(6-3)29-42(44)40-23-13-21-38(46(40)48)36-17-9-7-10-18-36/h5,7-14,17-30,35,48-49H,2,4,6,15-16,31-32H2,1,3H3.
What are the key properties of 2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol?
2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol has a molecular weight of 674.88 g/mol, XLogP of 11.93, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-2-[2-[[2-(2-hydroxy-3-phenylphenyl)-4-propylphenoxy]methyl]pent-4-enoxy]phenyl]-6-phenylphenol is sourced from PubChem (CID 140958801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).