dibenzyl 3-hydroxypropyl phosphate

C17H21O5P — CID 86064803

IUPACdibenzyl 3-hydroxypropyl phosphate
SMILESO=P(OCCCO)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H21O5P/c18-12-7-13-20-23(19,21-14-16-8-3-1-4-9-16)22-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyIJQAOPVRDGZHKK-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.93
Rot. Bonds10

About dibenzyl 3-hydroxypropyl phosphate

dibenzyl 3-hydroxypropyl phosphate (PubChem CID 86064803) has the molecular formula C17H21O5P and a molecular weight of 336.32 g/mol. Its IUPAC name is dibenzyl 3-hydroxypropyl phosphate.

Molecular Properties

Compound Namedibenzyl 3-hydroxypropyl phosphate
PubChem CID86064803
Molecular FormulaC17H21O5P
Molecular Weight336.32 g/mol
Exact Mass336.11
IUPAC Namedibenzyl 3-hydroxypropyl phosphate
SMILESO=P(OCCCO)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H21O5P/c18-12-7-13-20-23(19,21-14-16-8-3-1-4-9-16)22-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyIJQAOPVRDGZHKK-UHFFFAOYSA-N
XLogP3.93
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dibenzyl 3-hydroxypropyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bis(phenylmethoxy)phosphoryloxybutyl acetate;dibenzyl 4-hydroxybutyl phosphate
CID 158828112
3-aminopropyl dibenzyl phosphate;3-aminopropyl dihydrogen phosphate
CID 159834846
4-bis(phenylmethoxy)phosphoryloxybutyl acetate
CID 67987945
benzyl bis(2-phenoxyethyl) phosphate
CID 159104458
4-bis(phenylmethoxy)phosphorylbutan-1-ol
CID 170700837
benzyl bis(2,3-dihydroxypropyl) phosphate
CID 71386404
benzyl hexadecyl methyl phosphate
CID 57042032
3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol
CID 134483895
prop-2-enyl N-[3-bis(phenylmethoxy)phosphoryloxypropyl]carbamate
CID 156901166
dibenzyl chloromethyl phosphate;ethane
CID 144742868
dibenzyl benzylperoxymethyl phosphate
CID 138564478
dibenzyl hydrogen phosphate;silver
CID 85301331

Frequently Asked Questions

What is the IUPAC name of dibenzyl 3-hydroxypropyl phosphate?
The IUPAC name of dibenzyl 3-hydroxypropyl phosphate (CID 86064803) is dibenzyl 3-hydroxypropyl phosphate.
What is the SMILES notation for dibenzyl 3-hydroxypropyl phosphate?
The canonical SMILES for dibenzyl 3-hydroxypropyl phosphate is O=P(OCCCO)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl 3-hydroxypropyl phosphate?
The InChIKey is IJQAOPVRDGZHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O5P/c18-12-7-13-20-23(19,21-14-16-8-3-1-4-9-16)22-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2.
What are the key properties of dibenzyl 3-hydroxypropyl phosphate?
dibenzyl 3-hydroxypropyl phosphate has a molecular weight of 336.32 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 3-hydroxypropyl phosphate is sourced from PubChem (CID 86064803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).