aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol

C13H22NO5P — CID 161032649

IUPACaminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol
SMILESNP(O)O.OCCCCC1COC(c2ccccc2)O1
InChIInChI=1S/C13H18O3.H4NO2P/c14-9-5-4-8-12-10-15-13(16-12)11-6-2-1-3-7-11;1-4(2)3/h1-3,6-7,12-14H,4-5,8-10H2;2-3H,1H2
InChIKeyTZVCIWKYTWSEFL-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.42
Rot. Bonds5

About aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol

aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol (PubChem CID 161032649) has the molecular formula C13H22NO5P and a molecular weight of 303.29 g/mol. Its IUPAC name is aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol.

Molecular Properties

Compound Nameaminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol
PubChem CID161032649
Molecular FormulaC13H22NO5P
Molecular Weight303.29 g/mol
Exact Mass303.12
IUPAC Nameaminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol
SMILESNP(O)O.OCCCCC1COC(c2ccccc2)O1
InChIInChI=1S/C13H18O3.H4NO2P/c14-9-5-4-8-12-10-15-13(16-12)11-6-2-1-3-7-11;1-4(2)3/h1-3,6-7,12-14H,4-5,8-10H2;2-3H,1H2
InChIKeyTZVCIWKYTWSEFL-UHFFFAOYSA-N
XLogP1.42
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.42
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'}

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Related Compounds

4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
4-(9-azidononyl)-2-phenyl-1,3-dioxolane
CID 11109920
2-[2-(4-cyclobutylphenyl)-1,3-dioxolan-4-yl]ethanol
CID 142111859
2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,3-dioxolan-4-yl]butyl]isoindole-1,3-dione
CID 153438160
benzoic acid;3-(oxiran-2-yl)propan-1-ol
CID 71324796
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide
CID 21306105
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099

Frequently Asked Questions

What is the IUPAC name of aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol?
The IUPAC name of aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol (CID 161032649) is aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol.
What is the SMILES notation for aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol?
The canonical SMILES for aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol is NP(O)O.OCCCCC1COC(c2ccccc2)O1.
What is the InChIKey of aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol?
The InChIKey is TZVCIWKYTWSEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3.H4NO2P/c14-9-5-4-8-12-10-15-13(16-12)11-6-2-1-3-7-11;1-4(2)3/h1-3,6-7,12-14H,4-5,8-10H2;2-3H,1H2.
What are the key properties of aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol?
aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol has a molecular weight of 303.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol is sourced from PubChem (CID 161032649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).