5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol

C28H33NO3 — CID 90213605

IUPAC5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol
SMILESCCN(CC)CCOc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C28H33NO3/c1-5-29(6-2)18-19-32-25-15-12-23(13-16-25)28(21(3)22-10-8-7-9-11-22)24-14-17-27(31-4)26(30)20-24/h7-17,20,30H,5-6,18-19H2,1-4H3/b28-21+
InChIKeyMYTLYPXIAXIGAE-SGWCAAJKSA-N
MW431.58 g/mol
LogP6.10
Rot. Bonds10

About 5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol

5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol (PubChem CID 90213605) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol
PubChem CID90213605
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol
SMILESCCN(CC)CCOc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C28H33NO3/c1-5-29(6-2)18-19-32-25-15-12-23(13-16-25)28(21(3)22-10-8-7-9-11-22)24-14-17-27(31-4)26(30)20-24/h7-17,20,30H,5-6,18-19H2,1-4H3/b28-21+
InChIKeyMYTLYPXIAXIGAE-SGWCAAJKSA-N
XLogP6.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342
4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-methyl-2-phenylcyclopropyl]benzene-1,2-diol;5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol;2-[4-[(E)-1-(3,4-dihydroxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl-diethyl-methylazanium;methane
CID 162103275
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
3-[(Z)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol
CID 71494458
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrobromide
CID 157036879
2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride
CID 2853546
3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine
CID 54115203
4-[(E)-4-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 177495982
N,N-diethyl-2-[4-[(Z)-1-(4-methoxyphenyl)-3,3-dimethyl-2-phenylbut-1-enyl]phenoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 117067905
[4-[(E)-2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]prop-1-enyl]phenyl] butanoate
CID 155808930
2-methoxy-5-[(Z)-1-phenyl-2-(3,4,5-trimethoxyphenyl)but-1-enyl]phenol
CID 46226686
4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]benzonitrile
CID 139774948

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol?
The IUPAC name of 5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol (CID 90213605) is 5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol?
The canonical SMILES for 5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol is CCN(CC)CCOc1ccc(/C(=C(/C)c2ccccc2)c2ccc(OC)c(O)c2)cc1.
What is the InChIKey of 5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol?
The InChIKey is MYTLYPXIAXIGAE-SGWCAAJKSA-N. The full InChI is InChI=1S/C28H33NO3/c1-5-29(6-2)18-19-32-25-15-12-23(13-16-25)28(21(3)22-10-8-7-9-11-22)24-14-17-27(31-4)26(30)20-24/h7-17,20,30H,5-6,18-19H2,1-4H3/b28-21+.
What are the key properties of 5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol?
5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol has a molecular weight of 431.58 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol is sourced from PubChem (CID 90213605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).