1-(diethoxyphosphorylmethyl)-4-methoxybenzene

C12H19O4P — CID 4063826

IUPAC1-(diethoxyphosphorylmethyl)-4-methoxybenzene
SMILESCCOP(=O)(Cc1ccc(OC)cc1)OCC
InChIInChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyNKARVHNAACNYGE-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.46
Rot. Bonds7

About 1-(diethoxyphosphorylmethyl)-4-methoxybenzene

1-(diethoxyphosphorylmethyl)-4-methoxybenzene (PubChem CID 4063826) has the molecular formula C12H19O4P and a molecular weight of 258.25 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethyl)-4-methoxybenzene
PubChem CID4063826
Molecular FormulaC12H19O4P
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name1-(diethoxyphosphorylmethyl)-4-methoxybenzene
SMILESCCOP(=O)(Cc1ccc(OC)cc1)OCC
InChIInChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyNKARVHNAACNYGE-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-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
CID 137470189
1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
CID 57117278
1-(diethoxyphosphorylmethyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]benzene
CID 87704919
1-(diethoxyphosphorylmethylsulfanylmethyl)-4-methoxybenzene
CID 170567122
1-(diethoxyphosphorylmethyl)-4-[tris[4-(diethoxyphosphorylmethyl)phenyl]methyl]benzene
CID 10920093
1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene
CID 102580264
[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate
CID 130408458
1,4-bis(dibutoxyphosphorylmethyl)benzene
CID 101243552
N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline
CID 102299987
1-diethoxyphosphoryl-4-hydroxy-4-(4-methoxyphenyl)butan-2-one
CID 14340418
4-[4-(diethoxyphosphorylmethyl)phenyl]benzenesulfonyl fluoride
CID 88775092
tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
CID 42600508

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethyl)-4-methoxybenzene?
The IUPAC name of 1-(diethoxyphosphorylmethyl)-4-methoxybenzene (CID 4063826) is 1-(diethoxyphosphorylmethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(diethoxyphosphorylmethyl)-4-methoxybenzene?
The canonical SMILES for 1-(diethoxyphosphorylmethyl)-4-methoxybenzene is CCOP(=O)(Cc1ccc(OC)cc1)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethyl)-4-methoxybenzene?
The InChIKey is NKARVHNAACNYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-(diethoxyphosphorylmethyl)-4-methoxybenzene?
1-(diethoxyphosphorylmethyl)-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-(diethoxyphosphorylmethyl)-4-methoxybenzene is sourced from PubChem (CID 4063826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).