[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene

C18H21O4P — CID 142823878

IUPAC[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene
SMILESC=CCOCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H21O4P/c1-2-13-20-16-23(19,21-14-17-9-5-3-6-10-17)22-15-18-11-7-4-8-12-18/h2-12H,1,13-16H2
InChIKeyMVSPDHONPHPILW-UHFFFAOYSA-N
MW332.34 g/mol
LogP4.77
Rot. Bonds10

About [phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene

[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene (PubChem CID 142823878) has the molecular formula C18H21O4P and a molecular weight of 332.34 g/mol. Its IUPAC name is [phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene
PubChem CID142823878
Molecular FormulaC18H21O4P
Molecular Weight332.34 g/mol
Exact Mass332.12
IUPAC Name[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene
SMILESC=CCOCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H21O4P/c1-2-13-20-16-23(19,21-14-17-9-5-3-6-10-17)22-15-18-11-7-4-8-12-18/h2-12H,1,13-16H2
InChIKeyMVSPDHONPHPILW-UHFFFAOYSA-N
XLogP4.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
benzyl bis(ethenyl) phosphate
CID 141056267
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
[2-methylbutan-2-yloxymethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 58944428
[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 71417020
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
CID 162188865
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
CID 155609893
3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844
[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
CID 57149072

Frequently Asked Questions

What is the IUPAC name of [phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene?
The IUPAC name of [phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene (CID 142823878) is [phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene?
The canonical SMILES for [phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene is C=CCOCP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene?
The InChIKey is MVSPDHONPHPILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O4P/c1-2-13-20-16-23(19,21-14-17-9-5-3-6-10-17)22-15-18-11-7-4-8-12-18/h2-12H,1,13-16H2.
What are the key properties of [phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene?
[phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene has a molecular weight of 332.34 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phenylmethoxy(prop-2-enoxymethyl)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 142823878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).