ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium

C11H17O3PTi — CID 86657313

IUPACethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium
SMILESCCP(=O)(O)C(CCO)c1ccccc1.[Ti]
InChIInChI=1S/C11H17O3P.Ti/c1-2-15(13,14)11(8-9-12)10-6-4-3-5-7-10;/h3-7,11-12H,2,8-9H2,1H3,(H,13,14);
InChIKeyPUIMUJJBWLFJRR-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.40
Rot. Bonds5

About ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium

ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium (PubChem CID 86657313) has the molecular formula C11H17O3PTi and a molecular weight of 276.09 g/mol. Its IUPAC name is ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium.

Molecular Properties

Compound Nameethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium
PubChem CID86657313
Molecular FormulaC11H17O3PTi
Molecular Weight276.09 g/mol
Exact Mass276.04
IUPAC Nameethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium
SMILESCCP(=O)(O)C(CCO)c1ccccc1.[Ti]
InChIInChI=1S/C11H17O3P.Ti/c1-2-15(13,14)11(8-9-12)10-6-4-3-5-7-10;/h3-7,11-12H,2,8-9H2,1H3,(H,13,14);
InChIKeyPUIMUJJBWLFJRR-UHFFFAOYSA-N
XLogP2.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-1-phenylpropyl)-ethylphosphinic acid
CID 46216560
[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid
CID 23660289
(3-amino-1-phenylpropyl)-butylphosphinic acid
CID 67375391
(2-chloro-1-phenylethyl)phosphonic acid
CID 172736254
[4-[ethyl(hydroxy)amino]-4-oxo-1-phenylbutyl]phosphonic acid
CID 54758042
1-phenylpropane-1,3-diol
CID 572059
(3-chloro-3-oxo-1-phenylpropyl)-methylphosphinic acid
CID 88803558
1,1-diphenylbutan-2-ylphosphonic acid
CID 173118550
[(1,3-dioxoisoindol-2-yl)-(4-phenylphenyl)methyl]-ethylphosphinic acid
CID 134087622
N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
CID 111448440
4-ethoxy-3-phenylpent-4-en-1-ol
CID 134979133
azane;dihydrogen phosphate;hexadecyl-(3-hydroxy-1-phenylpropyl)-dimethylazanium
CID 175241378

Frequently Asked Questions

What is the IUPAC name of ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium?
The IUPAC name of ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium (CID 86657313) is ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium.
What is the SMILES notation for ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium?
The canonical SMILES for ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium is CCP(=O)(O)C(CCO)c1ccccc1.[Ti].
What is the InChIKey of ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium?
The InChIKey is PUIMUJJBWLFJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P.Ti/c1-2-15(13,14)11(8-9-12)10-6-4-3-5-7-10;/h3-7,11-12H,2,8-9H2,1H3,(H,13,14);.
What are the key properties of ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium?
ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium has a molecular weight of 276.09 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium is sourced from PubChem (CID 86657313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).