diphospazane;1-(4-phenylphenyl)propane-1,3-diol

C15H21NO2P2 — CID 145407356

IUPACdiphospazane;1-(4-phenylphenyl)propane-1,3-diol
SMILESOCCC(O)c1ccc(-c2ccccc2)cc1.PNP
InChIInChI=1S/C15H16O2.H5NP2/c16-11-10-15(17)14-8-6-13(7-9-14)12-4-2-1-3-5-12;2-1-3/h1-9,15-17H,10-11H2;1H,2-3H2
InChIKeySYIIIZAWPNJVPJ-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.93
Rot. Bonds4

About diphospazane;1-(4-phenylphenyl)propane-1,3-diol

diphospazane;1-(4-phenylphenyl)propane-1,3-diol (PubChem CID 145407356) has the molecular formula C15H21NO2P2 and a molecular weight of 309.29 g/mol. Its IUPAC name is diphospazane;1-(4-phenylphenyl)propane-1,3-diol.

Molecular Properties

Compound Namediphospazane;1-(4-phenylphenyl)propane-1,3-diol
PubChem CID145407356
Molecular FormulaC15H21NO2P2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Namediphospazane;1-(4-phenylphenyl)propane-1,3-diol
SMILESOCCC(O)c1ccc(-c2ccccc2)cc1.PNP
InChIInChI=1S/C15H16O2.H5NP2/c16-11-10-15(17)14-8-6-13(7-9-14)12-4-2-1-3-5-12;2-1-3/h1-9,15-17H,10-11H2;1H,2-3H2
InChIKeySYIIIZAWPNJVPJ-UHFFFAOYSA-N
XLogP2.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylpropane-1,3-diol
CID 572059
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
1-(4-phenylphenyl)butane-1,2,4-triol
CID 171873101
3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
3-(methylamino)-3-(4-phenylphenyl)propan-1-ol
CID 64813021
2-bromo-1-(4-phenylphenyl)ethanol
CID 13479157
(1S)-2-bromo-1-(4-phenylphenyl)ethanol
CID 13479158
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
(1S)-1-(4-iodophenyl)propane-1,3-diol
CID 71066511
2-methylsulfanyl-1-(4-phenylphenyl)ethanol
CID 15033009
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414

Frequently Asked Questions

What is the IUPAC name of diphospazane;1-(4-phenylphenyl)propane-1,3-diol?
The IUPAC name of diphospazane;1-(4-phenylphenyl)propane-1,3-diol (CID 145407356) is diphospazane;1-(4-phenylphenyl)propane-1,3-diol.
What is the SMILES notation for diphospazane;1-(4-phenylphenyl)propane-1,3-diol?
The canonical SMILES for diphospazane;1-(4-phenylphenyl)propane-1,3-diol is OCCC(O)c1ccc(-c2ccccc2)cc1.PNP.
What is the InChIKey of diphospazane;1-(4-phenylphenyl)propane-1,3-diol?
The InChIKey is SYIIIZAWPNJVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.H5NP2/c16-11-10-15(17)14-8-6-13(7-9-14)12-4-2-1-3-5-12;2-1-3/h1-9,15-17H,10-11H2;1H,2-3H2.
What are the key properties of diphospazane;1-(4-phenylphenyl)propane-1,3-diol?
diphospazane;1-(4-phenylphenyl)propane-1,3-diol has a molecular weight of 309.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphospazane;1-(4-phenylphenyl)propane-1,3-diol is sourced from PubChem (CID 145407356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).