4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium

C19H24NO3+ — CID 7379859

IUPAC4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium
SMILESc1ccc(COc2ccccc2OCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H23NO3/c1-2-6-17(7-3-1)16-23-19-9-5-4-8-18(19)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2/p+1
InChIKeyRUEDGVYWXVLYIO-UHFFFAOYSA-O
MW314.40 g/mol
LogP1.56
Rot. Bonds7

About 4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium

4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium (PubChem CID 7379859) has the molecular formula C19H24NO3+ and a molecular weight of 314.40 g/mol. Its IUPAC name is 4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium
PubChem CID7379859
Molecular FormulaC19H24NO3+
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium
SMILESc1ccc(COc2ccccc2OCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H23NO3/c1-2-6-17(7-3-1)16-23-19-9-5-4-8-18(19)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2/p+1
InChIKeyRUEDGVYWXVLYIO-UHFFFAOYSA-O
XLogP1.56
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-naphthalen-1-yloxyethyl)morpholin-4-ium
CID 7074084
4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium
CID 7380149
4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium
CID 7381404
4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium
CID 7315778
1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium
CID 7366089
1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium
CID 7484376
1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
CID 7375832
4-[2-(2-chloro-5-methylphenoxy)ethyl]morpholin-4-ium
CID 7460466
4-[2-(4-chloro-2-methylphenoxy)ethyl]morpholin-4-ium
CID 7460476
1-[2-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium
CID 4541365
4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
CID 164512461
1-(5-bromopentoxy)-2-phenylmethoxybenzene
CID 70388303

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium?
The IUPAC name of 4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium (CID 7379859) is 4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium is c1ccc(COc2ccccc2OCC[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium?
The InChIKey is RUEDGVYWXVLYIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23NO3/c1-2-6-17(7-3-1)16-23-19-9-5-4-8-18(19)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2/p+1.
What are the key properties of 4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium?
4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium has a molecular weight of 314.40 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium is sourced from PubChem (CID 7379859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).