2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid

C13H20NO4P — CID 155789739

IUPAC2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
SMILESO=P(O)(O)CCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C13H20NO4P/c15-19(16,17)9-4-12-2-1-3-13(10-12)11-14-5-7-18-8-6-14/h1-3,10H,4-9,11H2,(H2,15,16,17)
InChIKeyGAQJJCVBLUEOQS-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.24
Rot. Bonds5

About 2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid

2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid (PubChem CID 155789739) has the molecular formula C13H20NO4P and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid.

Molecular Properties

Compound Name2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
PubChem CID155789739
Molecular FormulaC13H20NO4P
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC Name2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
SMILESO=P(O)(O)CCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C13H20NO4P/c15-19(16,17)9-4-12-2-1-3-13(10-12)11-14-5-7-18-8-6-14/h1-3,10H,4-9,11H2,(H2,15,16,17)
InChIKeyGAQJJCVBLUEOQS-UHFFFAOYSA-N
XLogP1.24
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
methane;2-[4-[2-[3-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide
CID 158357127
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
[3-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 11031409
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol
CID 70749351
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479

Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid?
The IUPAC name of 2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid (CID 155789739) is 2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid.
What is the SMILES notation for 2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid?
The canonical SMILES for 2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid is O=P(O)(O)CCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid?
The InChIKey is GAQJJCVBLUEOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NO4P/c15-19(16,17)9-4-12-2-1-3-13(10-12)11-14-5-7-18-8-6-14/h1-3,10H,4-9,11H2,(H2,15,16,17).
What are the key properties of 2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid?
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid has a molecular weight of 285.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid is sourced from PubChem (CID 155789739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).