hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium

C24H33NO6P+ — CID 19690890

IUPAChydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium
SMILESO=[P+](O)C1(COc2ccc(CCNCC(O)COc3ccc(O)cc3)cc2)CCCCC1
InChIInChI=1S/C24H32NO6P/c26-20-6-10-22(11-7-20)30-17-21(27)16-25-15-12-19-4-8-23(9-5-19)31-18-24(32(28)29)13-2-1-3-14-24/h4-11,21,25,27H,1-3,12-18H2,(H-,26,28,29)/p+1
InChIKeyJMMMSDVWGVRQMZ-UHFFFAOYSA-O
MW462.50 g/mol
LogP3.78
Rot. Bonds12

About hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium

hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium (PubChem CID 19690890) has the molecular formula C24H33NO6P+ and a molecular weight of 462.50 g/mol. Its IUPAC name is hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium
PubChem CID19690890
Molecular FormulaC24H33NO6P+
Molecular Weight462.50 g/mol
Exact Mass462.20
IUPAC Namehydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium
SMILESO=[P+](O)C1(COc2ccc(CCNCC(O)COc3ccc(O)cc3)cc2)CCCCC1
InChIInChI=1S/C24H32NO6P/c26-20-6-10-22(11-7-20)30-17-21(27)16-25-15-12-19-4-8-23(9-5-19)31-18-24(32(28)29)13-2-1-3-14-24/h4-11,21,25,27H,1-3,12-18H2,(H-,26,28,29)/p+1
InChIKeyJMMMSDVWGVRQMZ-UHFFFAOYSA-O
XLogP3.78
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium with MolForge

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Related Compounds

4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330
N-[4-[(2S)-2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propoxy]phenyl]methanesulfonamide
CID 25107693
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl-phenylphosphinic acid
CID 67683432
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
CID 11481559
4-tert-butyl-N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]benzenesulfonamide
CID 59879605
4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol
CID 118334706
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide
CID 56678081
1-[4-(1-adamantyl)phenoxy]-3-[2-(4-ethylphenyl)ethylamino]propan-2-ol
CID 24854098
cyclohexyl-[[4-[2-[[2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenoxy]propyl]amino]ethyl]phenoxy]methoxy]-oxophosphanium
CID 67683770

Frequently Asked Questions

What is the IUPAC name of hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium?
The IUPAC name of hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium (CID 19690890) is hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium?
The canonical SMILES for hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium is O=[P+](O)C1(COc2ccc(CCNCC(O)COc3ccc(O)cc3)cc2)CCCCC1.
What is the InChIKey of hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium?
The InChIKey is JMMMSDVWGVRQMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32NO6P/c26-20-6-10-22(11-7-20)30-17-21(27)16-25-15-12-19-4-8-23(9-5-19)31-18-24(32(28)29)13-2-1-3-14-24/h4-11,21,25,27H,1-3,12-18H2,(H-,26,28,29)/p+1.
What are the key properties of hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium?
hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium has a molecular weight of 462.50 g/mol, XLogP of 3.78, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[1-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]cyclohexyl]-oxophosphanium is sourced from PubChem (CID 19690890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).