4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane

C28H34O4 — CID 143870397

IUPAC4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane
SMILESCC.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC(OC)OC)cc1)c1ccccc1
InChIInChI=1S/C26H28O4.C2H6/c1-4-24(19-8-6-5-7-9-19)26(20-10-14-22(27)15-11-20)21-12-16-23(17-13-21)30-18-25(28-2)29-3;1-2/h5-17,25,27H,4,18H2,1-3H3;1-2H3/b26-24-;
InChIKeyBFGJLKJLLFOJSD-FSKGQQLBSA-N
MW434.58 g/mol
LogP6.79
Rot. Bonds9

About 4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane

4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane (PubChem CID 143870397) has the molecular formula C28H34O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane.

Molecular Properties

Compound Name4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane
PubChem CID143870397
Molecular FormulaC28H34O4
Molecular Weight434.58 g/mol
Exact Mass434.25
IUPAC Name4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane
SMILESCC.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC(OC)OC)cc1)c1ccccc1
InChIInChI=1S/C26H28O4.C2H6/c1-4-24(19-8-6-5-7-9-19)26(20-10-14-22(27)15-11-20)21-12-16-23(17-13-21)30-18-25(28-2)29-3;1-2/h5-17,25,27H,4,18H2,1-3H3;1-2H3/b26-24-;
InChIKeyBFGJLKJLLFOJSD-FSKGQQLBSA-N
XLogP6.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
4-[(Z)-1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 67847155
[4-[(E)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate;[4-[(E)-1-[4-(2-oxoethoxy)phenyl]-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate
CID 157454824
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-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide
CID 176680471
4-[1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 67847089
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane?
The IUPAC name of 4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane (CID 143870397) is 4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane.
What is the SMILES notation for 4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane?
The canonical SMILES for 4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane is CC.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC(OC)OC)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane?
The InChIKey is BFGJLKJLLFOJSD-FSKGQQLBSA-N. The full InChI is InChI=1S/C26H28O4.C2H6/c1-4-24(19-8-6-5-7-9-19)26(20-10-14-22(27)15-11-20)21-12-16-23(17-13-21)30-18-25(28-2)29-3;1-2/h5-17,25,27H,4,18H2,1-3H3;1-2H3/b26-24-;.
What are the key properties of 4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane?
4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane has a molecular weight of 434.58 g/mol, XLogP of 6.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane is sourced from PubChem (CID 143870397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).