methyl-(4-morpholin-2-ylphenoxy)phosphinic acid

C11H16NO4P — CID 90023533

IUPACmethyl-(4-morpholin-2-ylphenoxy)phosphinic acid
SMILESCP(=O)(O)Oc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C11H16NO4P/c1-17(13,14)16-10-4-2-9(3-5-10)11-8-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3,(H,13,14)
InChIKeyCNLCWHVNVSFGKG-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.54
Rot. Bonds3

About methyl-(4-morpholin-2-ylphenoxy)phosphinic acid

methyl-(4-morpholin-2-ylphenoxy)phosphinic acid (PubChem CID 90023533) has the molecular formula C11H16NO4P and a molecular weight of 257.23 g/mol. Its IUPAC name is methyl-(4-morpholin-2-ylphenoxy)phosphinic acid.

Molecular Properties

Compound Namemethyl-(4-morpholin-2-ylphenoxy)phosphinic acid
PubChem CID90023533
Molecular FormulaC11H16NO4P
Molecular Weight257.23 g/mol
Exact Mass257.08
IUPAC Namemethyl-(4-morpholin-2-ylphenoxy)phosphinic acid
SMILESCP(=O)(O)Oc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C11H16NO4P/c1-17(13,14)16-10-4-2-9(3-5-10)11-8-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3,(H,13,14)
InChIKeyCNLCWHVNVSFGKG-UHFFFAOYSA-N
XLogP1.54
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[4-(difluoromethoxy)phenyl]morpholine
CID 93302393
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone
CID 66594601
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
azane;2-phenylmorpholine
CID 174664757
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363

Frequently Asked Questions

What is the IUPAC name of methyl-(4-morpholin-2-ylphenoxy)phosphinic acid?
The IUPAC name of methyl-(4-morpholin-2-ylphenoxy)phosphinic acid (CID 90023533) is methyl-(4-morpholin-2-ylphenoxy)phosphinic acid.
What is the SMILES notation for methyl-(4-morpholin-2-ylphenoxy)phosphinic acid?
The canonical SMILES for methyl-(4-morpholin-2-ylphenoxy)phosphinic acid is CP(=O)(O)Oc1ccc(C2CNCCO2)cc1.
What is the InChIKey of methyl-(4-morpholin-2-ylphenoxy)phosphinic acid?
The InChIKey is CNLCWHVNVSFGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO4P/c1-17(13,14)16-10-4-2-9(3-5-10)11-8-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3,(H,13,14).
What are the key properties of methyl-(4-morpholin-2-ylphenoxy)phosphinic acid?
methyl-(4-morpholin-2-ylphenoxy)phosphinic acid has a molecular weight of 257.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-morpholin-2-ylphenoxy)phosphinic acid is sourced from PubChem (CID 90023533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).