butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid

C25H44NO5P — CID 87243640

IUPACbutan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid
SMILESCCCCCCCCOc1ccc(C2CN(CCCP(=O)(O)OC(C)CC)CCO2)cc1
InChIInChI=1S/C25H44NO5P/c1-4-6-7-8-9-10-18-29-24-14-12-23(13-15-24)25-21-26(17-19-30-25)16-11-20-32(27,28)31-22(3)5-2/h12-15,22,25H,4-11,16-21H2,1-3H3,(H,27,28)
InChIKeyZZCNFWYYBKBPJR-UHFFFAOYSA-N
MW469.60 g/mol
LogP6.19
Rot. Bonds16

About butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid

butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid (PubChem CID 87243640) has the molecular formula C25H44NO5P and a molecular weight of 469.60 g/mol. Its IUPAC name is butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid
PubChem CID87243640
Molecular FormulaC25H44NO5P
Molecular Weight469.60 g/mol
Exact Mass469.30
IUPAC Namebutan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid
SMILESCCCCCCCCOc1ccc(C2CN(CCCP(=O)(O)OC(C)CC)CCO2)cc1
InChIInChI=1S/C25H44NO5P/c1-4-6-7-8-9-10-18-29-24-14-12-23(13-15-24)25-21-26(17-19-30-25)16-11-20-32(27,28)31-22(3)5-2/h12-15,22,25H,4-11,16-21H2,1-3H3,(H,27,28)
InChIKeyZZCNFWYYBKBPJR-UHFFFAOYSA-N
XLogP6.19
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.60
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-2-yloxy-[3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholin-4-yl]propyl]phosphinic acid
CID 88867904
3-[(2S)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564158
3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564157
2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141298267
3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
CID 124564116
3-[2-(4-hex-5-ynoxyphenyl)morpholin-4-yl]propanoic acid
CID 51002386
tert-butyl 4-[2-(4-octylphenyl)morpholin-4-yl]butanoate
CID 67033262
4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866537
4-ethoxy-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892642
4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816326
3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142765989
(2S)-2-(4-fluorophenyl)-4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine
CID 95783521

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid?
The IUPAC name of butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid (CID 87243640) is butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid.
What is the SMILES notation for butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid?
The canonical SMILES for butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid is CCCCCCCCOc1ccc(C2CN(CCCP(=O)(O)OC(C)CC)CCO2)cc1.
What is the InChIKey of butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid?
The InChIKey is ZZCNFWYYBKBPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44NO5P/c1-4-6-7-8-9-10-18-29-24-14-12-23(13-15-24)25-21-26(17-19-30-25)16-11-20-32(27,28)31-22(3)5-2/h12-15,22,25H,4-11,16-21H2,1-3H3,(H,27,28).
What are the key properties of butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid?
butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid has a molecular weight of 469.60 g/mol, XLogP of 6.19, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid is sourced from PubChem (CID 87243640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).