8-(4-phenylmethoxyphenoxy)octylazanium

C21H30NO2+ — CID 142204754

IUPAC8-(4-phenylmethoxyphenoxy)octylazanium
SMILES[NH3+]CCCCCCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H29NO2/c22-16-8-3-1-2-4-9-17-23-20-12-14-21(15-13-20)24-18-19-10-6-5-7-11-19/h5-7,10-15H,1-4,8-9,16-18,22H2/p+1
InChIKeyAUTKDJUWPFRNNU-UHFFFAOYSA-O
MW328.48 g/mol
LogP4.23
Rot. Bonds12

About 8-(4-phenylmethoxyphenoxy)octylazanium

8-(4-phenylmethoxyphenoxy)octylazanium (PubChem CID 142204754) has the molecular formula C21H30NO2+ and a molecular weight of 328.48 g/mol. Its IUPAC name is 8-(4-phenylmethoxyphenoxy)octylazanium.

Molecular Properties

Compound Name8-(4-phenylmethoxyphenoxy)octylazanium
PubChem CID142204754
Molecular FormulaC21H30NO2+
Molecular Weight328.48 g/mol
Exact Mass328.23
IUPAC Name8-(4-phenylmethoxyphenoxy)octylazanium
SMILES[NH3+]CCCCCCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H29NO2/c22-16-8-3-1-2-4-9-17-23-20-12-14-21(15-13-20)24-18-19-10-6-5-7-11-19/h5-7,10-15H,1-4,8-9,16-18,22H2/p+1
InChIKeyAUTKDJUWPFRNNU-UHFFFAOYSA-O
XLogP4.23
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
1-(8-bromooctoxy)-4-phenylmethoxybenzene
CID 86051798
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538
1-(5-bromopentoxy)-4-phenylmethoxybenzene;1-(3-bromopropoxy)-4-phenylmethoxybenzene
CID 158329234
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
1-phenylmethoxy-4-propoxybenzene
CID 10728874
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
2-[9-(4-phenylmethoxyphenoxy)nonyl]oxirane
CID 54047202
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250

Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylmethoxyphenoxy)octylazanium?
The IUPAC name of 8-(4-phenylmethoxyphenoxy)octylazanium (CID 142204754) is 8-(4-phenylmethoxyphenoxy)octylazanium.
What is the SMILES notation for 8-(4-phenylmethoxyphenoxy)octylazanium?
The canonical SMILES for 8-(4-phenylmethoxyphenoxy)octylazanium is [NH3+]CCCCCCCCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 8-(4-phenylmethoxyphenoxy)octylazanium?
The InChIKey is AUTKDJUWPFRNNU-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H29NO2/c22-16-8-3-1-2-4-9-17-23-20-12-14-21(15-13-20)24-18-19-10-6-5-7-11-19/h5-7,10-15H,1-4,8-9,16-18,22H2/p+1.
What are the key properties of 8-(4-phenylmethoxyphenoxy)octylazanium?
8-(4-phenylmethoxyphenoxy)octylazanium has a molecular weight of 328.48 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylmethoxyphenoxy)octylazanium is sourced from PubChem (CID 142204754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).