4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium

C18H22NO2+ — CID 7315778

IUPAC4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium
SMILESc1ccc(COc2cccc(C[NH+]3CCOCC3)c2)cc1
InChIInChI=1S/C18H21NO2/c1-2-5-16(6-3-1)15-21-18-8-4-7-17(13-18)14-19-9-11-20-12-10-19/h1-8,13H,9-12,14-15H2/p+1
InChIKeyMZABXMUSTICBMM-UHFFFAOYSA-O
MW284.38 g/mol
LogP1.68
Rot. Bonds5

About 4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium

4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium (PubChem CID 7315778) has the molecular formula C18H22NO2+ and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium
PubChem CID7315778
Molecular FormulaC18H22NO2+
Molecular Weight284.38 g/mol
Exact Mass284.16
IUPAC Name4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium
SMILESc1ccc(COc2cccc(C[NH+]3CCOCC3)c2)cc1
InChIInChI=1S/C18H21NO2/c1-2-5-16(6-3-1)15-21-18-8-4-7-17(13-18)14-19-9-11-20-12-10-19/h1-8,13H,9-12,14-15H2/p+1
InChIKeyMZABXMUSTICBMM-UHFFFAOYSA-O
XLogP1.68
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6963584
4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 4748638
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium
CID 7379859
7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane
CID 7064770
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
1-ethyl-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium
CID 7439200
1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine-1,4-diium
CID 6943042
1-phenylmethoxy-3-propylbenzene
CID 58977798
N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111047716
CID 57452903
CID 57452903

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium (CID 7315778) is 4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium is c1ccc(COc2cccc(C[NH+]3CCOCC3)c2)cc1.
What is the InChIKey of 4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium?
The InChIKey is MZABXMUSTICBMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21NO2/c1-2-5-16(6-3-1)15-21-18-8-4-7-17(13-18)14-19-9-11-20-12-10-19/h1-8,13H,9-12,14-15H2/p+1.
What are the key properties of 4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium?
4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium has a molecular weight of 284.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium is sourced from PubChem (CID 7315778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).