2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride

C26H30ClNO — CID 53446924

IUPAC2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOc1ccc(C(=Cc2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C26H29NO.ClH/c1-3-27(4-2)19-20-28-25-17-15-24(16-18-25)26(23-13-9-6-10-14-23)21-22-11-7-5-8-12-22;/h5-18,21H,3-4,19-20H2,1-2H3;1H
InChIKeyVPQKHXADDASFHZ-UHFFFAOYSA-N
MW407.99 g/mol
LogP1.58
Rot. Bonds9

About 2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride

2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride (PubChem CID 53446924) has the molecular formula C26H30ClNO and a molecular weight of 407.99 g/mol. Its IUPAC name is 2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride
PubChem CID53446924
Molecular FormulaC26H30ClNO
Molecular Weight407.99 g/mol
Exact Mass407.20
IUPAC Name2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOc1ccc(C(=Cc2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C26H29NO.ClH/c1-3-27(4-2)19-20-28-25-17-15-24(16-18-25)26(23-13-9-6-10-14-23)21-22-11-7-5-8-12-22;/h5-18,21H,3-4,19-20H2,1-2H3;1H
InChIKeyVPQKHXADDASFHZ-UHFFFAOYSA-N
XLogP1.58
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl-[2-[4-[(Z)-1,2-diphenylethenyl]phenoxy]ethyl]azanium chloride
CID 6432920
1,4-bis[2,2-bis(4-butoxyphenyl)ethenyl]benzene
CID 102046823
CID 173126547
CID 173126547
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
CID 71776885
2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate
CID 167210341
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
diethyl(6-phenoxyhexyl)azanium
CID 2057301
[4-(2,2-diphenylethenyl)phenoxy]boronic acid
CID 23020580
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
(Z)-3-[2-[2-(diethylazaniumyl)ethoxy]phenyl]-2-phenylprop-2-enoate
CID 42307663
2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid
CID 10526917
CID 172843956
CID 172843956

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride?
The IUPAC name of 2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride (CID 53446924) is 2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride.
What is the SMILES notation for 2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride?
The canonical SMILES for 2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride is CC[NH+](CC)CCOc1ccc(C(=Cc2ccccc2)c2ccccc2)cc1.[Cl-].
What is the InChIKey of 2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride?
The InChIKey is VPQKHXADDASFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO.ClH/c1-3-27(4-2)19-20-28-25-17-15-24(16-18-25)26(23-13-9-6-10-14-23)21-22-11-7-5-8-12-22;/h5-18,21H,3-4,19-20H2,1-2H3;1H.
What are the key properties of 2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride?
2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride has a molecular weight of 407.99 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium chloride is sourced from PubChem (CID 53446924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).