bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium

C18H24NO4+ — CID 102448547

IUPACbis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium
SMILESOCCOc1ccc(C[NH2+]Cc2ccc(OCCO)cc2)cc1
InChIInChI=1S/C18H23NO4/c20-9-11-22-17-5-1-15(2-6-17)13-19-14-16-3-7-18(8-4-16)23-12-10-21/h1-8,19-21H,9-14H2/p+1
InChIKeyWEBNEPYSSYQOSC-UHFFFAOYSA-O
MW318.39 g/mol
LogP0.69
Rot. Bonds10

About bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium

bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium (PubChem CID 102448547) has the molecular formula C18H24NO4+ and a molecular weight of 318.39 g/mol. Its IUPAC name is bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium.

Molecular Properties

Compound Namebis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium
PubChem CID102448547
Molecular FormulaC18H24NO4+
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Namebis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium
SMILESOCCOc1ccc(C[NH2+]Cc2ccc(OCCO)cc2)cc1
InChIInChI=1S/C18H23NO4/c20-9-11-22-17-5-1-15(2-6-17)13-19-14-16-3-7-18(8-4-16)23-12-10-21/h1-8,19-21H,9-14H2/p+1
InChIKeyWEBNEPYSSYQOSC-UHFFFAOYSA-O
XLogP0.69
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 162335780
CID 162335780
[4-(2-azidoethoxy)phenyl]methyl-[[4-[4-[[[4-(2-azidoethoxy)phenyl]methylazaniumyl]methyl]phenyl]phenyl]methyl]azanium
CID 102126867
2-[4-(2-aminooxyethyl)phenoxy]ethanol
CID 117286926
bis[[4-[2-[2-[2-(3-hydroxyphenoxy)ethoxy]ethoxy]ethoxy]phenyl]methyl]azanium
CID 135019716
CID 90413070
CID 90413070
(4-methylphenyl)methyl-[[4-(11-sulfanylundecoxy)phenyl]methyl]azanium
CID 102357955
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
6-[[4-(2-hydroxyethoxy)phenyl]methoxy]hexan-1-ol
CID 126733127
butyl-[[4-[10-[4-[(butylazaniumyl)methyl]phenoxy]decoxy]phenyl]methyl]azanium
CID 102584674
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
CID 175309194
2-(4-prop-1-enylphenoxy)ethanol
CID 54412247

Frequently Asked Questions

What is the IUPAC name of bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium?
The IUPAC name of bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium (CID 102448547) is bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium.
What is the SMILES notation for bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium?
The canonical SMILES for bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium is OCCOc1ccc(C[NH2+]Cc2ccc(OCCO)cc2)cc1.
What is the InChIKey of bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium?
The InChIKey is WEBNEPYSSYQOSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23NO4/c20-9-11-22-17-5-1-15(2-6-17)13-19-14-16-3-7-18(8-4-16)23-12-10-21/h1-8,19-21H,9-14H2/p+1.
What are the key properties of bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium?
bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium has a molecular weight of 318.39 g/mol, XLogP of 0.69, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium is sourced from PubChem (CID 102448547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).