1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene

C16H19O4P — CID 137470189

IUPAC1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
SMILESCCOP(=O)(Cc1ccccc1)Oc1ccc(OC)cc1
InChIInChI=1S/C16H19O4P/c1-3-19-21(17,13-14-7-5-4-6-8-14)20-16-11-9-15(18-2)10-12-16/h4-12H,3,13H2,1-2H3
InChIKeyPRZYLDLQWZPUQJ-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.50
Rot. Bonds7

About 1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene

1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene (PubChem CID 137470189) has the molecular formula C16H19O4P and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene.

Molecular Properties

Compound Name1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
PubChem CID137470189
Molecular FormulaC16H19O4P
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Name1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
SMILESCCOP(=O)(Cc1ccccc1)Oc1ccc(OC)cc1
InChIInChI=1S/C16H19O4P/c1-3-19-21(17,13-14-7-5-4-6-8-14)20-16-11-9-15(18-2)10-12-16/h4-12H,3,13H2,1-2H3
InChIKeyPRZYLDLQWZPUQJ-UHFFFAOYSA-N
XLogP4.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.50
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
[benzyl(phenoxy)phosphoryl]oxymethanamine
CID 174833549
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
2-[[ethoxy(phenoxy)phosphoryl]methyl]furan
CID 137470187
1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
CID 57117278
[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
CID 11324093
2-diethoxyphosphorylethylbenzene
CID 3448525
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157
1-(diethoxyphosphorylmethylsulfanylmethyl)-4-methoxybenzene
CID 170567122
1-[[benzyl(ethoxy)phosphoryl]oxymethyl]-2-chlorobenzene
CID 173306298
1-(diethoxyphosphorylmethyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]benzene
CID 87704919
1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
CID 175093390

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene?
The IUPAC name of 1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene (CID 137470189) is 1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene.
What is the SMILES notation for 1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene?
The canonical SMILES for 1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene is CCOP(=O)(Cc1ccccc1)Oc1ccc(OC)cc1.
What is the InChIKey of 1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene?
The InChIKey is PRZYLDLQWZPUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O4P/c1-3-19-21(17,13-14-7-5-4-6-8-14)20-16-11-9-15(18-2)10-12-16/h4-12H,3,13H2,1-2H3.
What are the key properties of 1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene?
1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene has a molecular weight of 306.30 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene is sourced from PubChem (CID 137470189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).