4-(morpholin-4-ium-4-ylmethyl)phenol

C11H16NO2+ — CID 6943124

IUPAC4-(morpholin-4-ium-4-ylmethyl)phenol
SMILESOc1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C11H15NO2/c13-11-3-1-10(2-4-11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2/p+1
InChIKeyQTBUQGNJOPTFNW-UHFFFAOYSA-O
MW194.25 g/mol
LogP-0.19
Rot. Bonds2

About 4-(morpholin-4-ium-4-ylmethyl)phenol

4-(morpholin-4-ium-4-ylmethyl)phenol (PubChem CID 6943124) has the molecular formula C11H16NO2+ and a molecular weight of 194.25 g/mol. Its IUPAC name is 4-(morpholin-4-ium-4-ylmethyl)phenol.

Molecular Properties

Compound Name4-(morpholin-4-ium-4-ylmethyl)phenol
PubChem CID6943124
Molecular FormulaC11H16NO2+
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name4-(morpholin-4-ium-4-ylmethyl)phenol
SMILESOc1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C11H15NO2/c13-11-3-1-10(2-4-11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2/p+1
InChIKeyQTBUQGNJOPTFNW-UHFFFAOYSA-O
XLogP-0.19
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889
4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
CID 6942864
7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane
CID 7064770
N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7457311
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
(4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone
CID 7368546
1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol
CID 135758566
N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-4-(morpholin-4-ium-4-ylmethyl)benzohydrazide
CID 3659582
4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818085
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ium-4-ylmethyl)phenol?
The IUPAC name of 4-(morpholin-4-ium-4-ylmethyl)phenol (CID 6943124) is 4-(morpholin-4-ium-4-ylmethyl)phenol.
What is the SMILES notation for 4-(morpholin-4-ium-4-ylmethyl)phenol?
The canonical SMILES for 4-(morpholin-4-ium-4-ylmethyl)phenol is Oc1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ium-4-ylmethyl)phenol?
The InChIKey is QTBUQGNJOPTFNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15NO2/c13-11-3-1-10(2-4-11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2/p+1.
What are the key properties of 4-(morpholin-4-ium-4-ylmethyl)phenol?
4-(morpholin-4-ium-4-ylmethyl)phenol has a molecular weight of 194.25 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ium-4-ylmethyl)phenol is sourced from PubChem (CID 6943124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).