4-diphenoxyphosphoryloxybutyl prop-2-enoate

C19H21O6P — CID 164524984

IUPAC4-diphenoxyphosphoryloxybutyl prop-2-enoate
SMILESC=CC(=O)OCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H21O6P/c1-2-19(20)22-15-9-10-16-23-26(21,24-17-11-5-3-6-12-17)25-18-13-7-4-8-14-18/h2-8,11-14H,1,9-10,15-16H2
InChIKeyYUCCBFLIRDDXCY-UHFFFAOYSA-N
MW376.35 g/mol
LogP4.78
Rot. Bonds11

About 4-diphenoxyphosphoryloxybutyl prop-2-enoate

4-diphenoxyphosphoryloxybutyl prop-2-enoate (PubChem CID 164524984) has the molecular formula C19H21O6P and a molecular weight of 376.35 g/mol. Its IUPAC name is 4-diphenoxyphosphoryloxybutyl prop-2-enoate.

Molecular Properties

Compound Name4-diphenoxyphosphoryloxybutyl prop-2-enoate
PubChem CID164524984
Molecular FormulaC19H21O6P
Molecular Weight376.35 g/mol
Exact Mass376.11
IUPAC Name4-diphenoxyphosphoryloxybutyl prop-2-enoate
SMILESC=CC(=O)OCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H21O6P/c1-2-19(20)22-15-9-10-16-23-26(21,24-17-11-5-3-6-12-17)25-18-13-7-4-8-14-18/h2-8,11-14H,1,9-10,15-16H2
InChIKeyYUCCBFLIRDDXCY-UHFFFAOYSA-N
XLogP4.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

8-[8-(2-methylprop-2-enoyloxy)octoxy-phenoxyphosphoryl]oxyoctyl 2-methylprop-2-enoate
CID 158144102
3-[3-(2-methylprop-2-enoyloxy)propoxy-phenoxyphosphoryl]oxypropyl 2-methylprop-2-enoate
CID 161139051
9-[hydroxy(9-prop-2-enoyloxynonoxy)phosphoryl]oxynonyl prop-2-enoate
CID 138489892
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004
heptyl pentyl phenyl phosphate
CID 21454681
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate
CID 13205776
3-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 101392903
benzoic acid;3-hydroxypropyl prop-2-enoate
CID 161094010
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-[hydroxy(phenoxy)phosphoryl]oxybutyl phenyl hydrogen phosphate
CID 101208823

Frequently Asked Questions

What is the IUPAC name of 4-diphenoxyphosphoryloxybutyl prop-2-enoate?
The IUPAC name of 4-diphenoxyphosphoryloxybutyl prop-2-enoate (CID 164524984) is 4-diphenoxyphosphoryloxybutyl prop-2-enoate.
What is the SMILES notation for 4-diphenoxyphosphoryloxybutyl prop-2-enoate?
The canonical SMILES for 4-diphenoxyphosphoryloxybutyl prop-2-enoate is C=CC(=O)OCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 4-diphenoxyphosphoryloxybutyl prop-2-enoate?
The InChIKey is YUCCBFLIRDDXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O6P/c1-2-19(20)22-15-9-10-16-23-26(21,24-17-11-5-3-6-12-17)25-18-13-7-4-8-14-18/h2-8,11-14H,1,9-10,15-16H2.
What are the key properties of 4-diphenoxyphosphoryloxybutyl prop-2-enoate?
4-diphenoxyphosphoryloxybutyl prop-2-enoate has a molecular weight of 376.35 g/mol, XLogP of 4.78, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenoxyphosphoryloxybutyl prop-2-enoate is sourced from PubChem (CID 164524984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).