1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene

C14H23O4P — CID 102580264

IUPAC1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene
SMILESCCOP(=O)(OCC)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C14H23O4P/c1-5-17-19(15,18-6-2)12(3)11-13-7-9-14(16-4)10-8-13/h7-10,12H,5-6,11H2,1-4H3
InChIKeyIOLXZUISMIFOPO-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.89
Rot. Bonds8

About 1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene

1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene (PubChem CID 102580264) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene
PubChem CID102580264
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene
SMILESCCOP(=O)(OCC)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C14H23O4P/c1-5-17-19(15,18-6-2)12(3)11-13-7-9-14(16-4)10-8-13/h7-10,12H,5-6,11H2,1-4H3
InChIKeyIOLXZUISMIFOPO-UHFFFAOYSA-N
XLogP3.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.89
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
(4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate
CID 131858581
N-[bis(diethoxyphosphoryl)methyl]-4-methoxyaniline
CID 101468043
1-(2-chloro-3-dichlorophosphorylpropyl)-4-methoxybenzene
CID 12654708
antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate
CID 102115420
1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
CID 90848416
1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 71606452
1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
CID 57117278
3-[[ethoxy-[1-[4-[[ethoxy(propan-2-yl)phosphoryl]oxymethyl]phenyl]propan-2-yl]phosphoryl]oxymethyl]pyridine
CID 130426613
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
CID 125466938
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833

Frequently Asked Questions

What is the IUPAC name of 1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene?
The IUPAC name of 1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene (CID 102580264) is 1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene is CCOP(=O)(OCC)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene?
The InChIKey is IOLXZUISMIFOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P/c1-5-17-19(15,18-6-2)12(3)11-13-7-9-14(16-4)10-8-13/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene?
1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene has a molecular weight of 286.31 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene is sourced from PubChem (CID 102580264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).