1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene

C12H19O4P — CID 57117278

IUPAC1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
SMILESCCOP(=O)(CC)OCc1ccc(OC)cc1
InChIInChI=1S/C12H19O4P/c1-4-15-17(13,5-2)16-10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyCERSWQFHESRIRE-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.46
Rot. Bonds7

About 1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene

1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene (PubChem CID 57117278) has the molecular formula C12H19O4P and a molecular weight of 258.25 g/mol. Its IUPAC name is 1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
PubChem CID57117278
Molecular FormulaC12H19O4P
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
SMILESCCOP(=O)(CC)OCc1ccc(OC)cc1
InChIInChI=1S/C12H19O4P/c1-4-15-17(13,5-2)16-10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyCERSWQFHESRIRE-UHFFFAOYSA-N
XLogP3.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
1-(diethoxyphosphorylmethylsulfanylmethyl)-4-methoxybenzene
CID 170567122
(4-methoxyphenyl)methoxy-methylphosphinic acid
CID 18801166
1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
CID 137470189
[ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol
CID 170897190
1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene
CID 102580264
N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline
CID 102299987
(4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate
CID 131858581
isocyanic acid;1-methoxy-4-(methoxymethyl)benzene
CID 88803383
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
4-[ethoxy(ethyl)phosphoryl]oxybenzamide
CID 3057421
1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
CID 175093390

Frequently Asked Questions

What is the IUPAC name of 1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene?
The IUPAC name of 1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene (CID 57117278) is 1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene?
The canonical SMILES for 1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene is CCOP(=O)(CC)OCc1ccc(OC)cc1.
What is the InChIKey of 1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene?
The InChIKey is CERSWQFHESRIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O4P/c1-4-15-17(13,5-2)16-10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene?
1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene has a molecular weight of 258.25 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene is sourced from PubChem (CID 57117278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).