1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol

C66H68O8 — CID 158268818

IUPAC1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(OCc2ccc(OC)cc2)cc1)c1ccccc1.CCOC(COc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(OCc3ccc(OC)cc3)cc2)cc1)OCC
InChIInChI=1S/C36H40O5.C30H28O3/c1-5-34(28-11-9-8-10-12-28)36(30-17-23-33(24-18-30)41-26-35(38-6-2)39-7-3)29-15-21-32(22-16-29)40-25-27-13-19-31(37-4)20-14-27;1-3-29(23-7-5-4-6-8-23)30(24-11-15-26(31)16-12-24)25-13-19-28(20-14-25)33-21-22-9-17-27(32-2)18-10-22/h8-24,35H,5-7,25-26H2,1-4H3;4-20,31H,3,21H2,1-2H3/b36-34-;30-29+
InChIKeyGITYQIUVPIWGTR-BPEILYJQSA-N
MW989.26 g/mol
LogP15.77
Rot. Bonds23

About 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol

1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol (PubChem CID 158268818) has the molecular formula C66H68O8 and a molecular weight of 989.26 g/mol. Its IUPAC name is 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol
PubChem CID158268818
Molecular FormulaC66H68O8
Molecular Weight989.26 g/mol
Exact Mass988.49
IUPAC Name1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(OCc2ccc(OC)cc2)cc1)c1ccccc1.CCOC(COc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(OCc3ccc(OC)cc3)cc2)cc1)OCC
InChIInChI=1S/C36H40O5.C30H28O3/c1-5-34(28-11-9-8-10-12-28)36(30-17-23-33(24-18-30)41-26-35(38-6-2)39-7-3)29-15-21-32(22-16-29)40-25-27-13-19-31(37-4)20-14-27;1-3-29(23-7-5-4-6-8-23)30(24-11-15-26(31)16-12-24)25-13-19-28(20-14-25)33-21-22-9-17-27(32-2)18-10-22/h8-24,35H,5-7,25-26H2,1-4H3;4-20,31H,3,21H2,1-2H3/b36-34-;30-29+
InChIKeyGITYQIUVPIWGTR-BPEILYJQSA-N
XLogP15.77
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.26
LogP ≤ 515.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol with MolForge

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Related Compounds

4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane
CID 143870397
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
4-[(Z)-1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 67847155
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenylmethoxyphenyl)but-1-enyl]phenol
CID 70684715
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
4-[1-[4-[3-[ethyl(methyl)amino]-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 67846760
1-(6-chlorohexoxy)-4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]benzene
CID 67653312
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)but-1-enyl]phenol
CID 15819111
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
CID 121473019

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The IUPAC name of 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol (CID 158268818) is 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol is CC/C(=C(/c1ccc(O)cc1)c1ccc(OCc2ccc(OC)cc2)cc1)c1ccccc1.CCOC(COc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(OCc3ccc(OC)cc3)cc2)cc1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol?
The InChIKey is GITYQIUVPIWGTR-BPEILYJQSA-N. The full InChI is InChI=1S/C36H40O5.C30H28O3/c1-5-34(28-11-9-8-10-12-28)36(30-17-23-33(24-18-30)41-26-35(38-6-2)39-7-3)29-15-21-32(22-16-29)40-25-27-13-19-31(37-4)20-14-27;1-3-29(23-7-5-4-6-8-23)30(24-11-15-26(31)16-12-24)25-13-19-28(20-14-25)33-21-22-9-17-27(32-2)18-10-22/h8-24,35H,5-7,25-26H2,1-4H3;4-20,31H,3,21H2,1-2H3/b36-34-;30-29+.
What are the key properties of 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol?
1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol has a molecular weight of 989.26 g/mol, XLogP of 15.77, 23 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethoxy)-4-[(Z)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]benzene;4-[(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 158268818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).