3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol

C12H19O5P — CID 134483895

IUPAC3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol
SMILESO=P(OCCCO)(OCCCO)c1ccccc1
InChIInChI=1S/C12H19O5P/c13-8-4-10-16-18(15,17-11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyBPBFRHFYBQHNME-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.30
Rot. Bonds9

About 3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol

3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol (PubChem CID 134483895) has the molecular formula C12H19O5P and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol
PubChem CID134483895
Molecular FormulaC12H19O5P
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol
SMILESO=P(OCCCO)(OCCCO)c1ccccc1
InChIInChI=1S/C12H19O5P/c13-8-4-10-16-18(15,17-11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyBPBFRHFYBQHNME-UHFFFAOYSA-N
XLogP1.30
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

di(tridecoxy)phosphorylbenzene
CID 87531060
dipropoxyphosphorylbenzene
CID 11736632
dibenzyl 3-hydroxypropyl phosphate
CID 86064803
[2-methylpropoxy(tridecoxy)phosphoryl]benzene
CID 91723456
diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate
CID 21415815
4-[methyl(phenyl)phosphoryl]butan-1-ol
CID 541481
3-[2-hydroxybutoxy(phenyl)phosphoryl]oxypropane-1,2-diol
CID 123374932
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene
CID 101025197
[butoxy(fluoro)phosphoryl]benzene
CID 23235617
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol?
The IUPAC name of 3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol (CID 134483895) is 3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol.
What is the SMILES notation for 3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol?
The canonical SMILES for 3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol is O=P(OCCCO)(OCCCO)c1ccccc1.
What is the InChIKey of 3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol?
The InChIKey is BPBFRHFYBQHNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O5P/c13-8-4-10-16-18(15,17-11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol?
3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol has a molecular weight of 274.25 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol is sourced from PubChem (CID 134483895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).