1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene

C16H17O5P — CID 14641380

IUPAC1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene
SMILESC=CP(=O)(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1
InChIInChI=1S/C16H17O5P/c1-4-22(17,20-15-9-5-13(18-2)6-10-15)21-16-11-7-14(19-3)8-12-16/h4-12H,1H2,2-3H3
InChIKeyXBVQESWNYXEJSY-UHFFFAOYSA-N
MW320.28 g/mol
LogP4.50
Rot. Bonds7

About 1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene

1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene (PubChem CID 14641380) has the molecular formula C16H17O5P and a molecular weight of 320.28 g/mol. Its IUPAC name is 1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene.

Molecular Properties

Compound Name1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene
PubChem CID14641380
Molecular FormulaC16H17O5P
Molecular Weight320.28 g/mol
Exact Mass320.08
IUPAC Name1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene
SMILESC=CP(=O)(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1
InChIInChI=1S/C16H17O5P/c1-4-22(17,20-15-9-5-13(18-2)6-10-15)21-16-11-7-14(19-3)8-12-16/h4-12H,1H2,2-3H3
InChIKeyXBVQESWNYXEJSY-UHFFFAOYSA-N
XLogP4.50
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

chloro bis(4-methoxyphenyl) phosphate
CID 19821181
(4-methoxyphenoxy)phosphonamidic acid
CID 121349218
4-methoxy-N-penta-1,4-dien-3-ylbenzamide
CID 138979446
4-[(4-methoxyphenoxy)-methylphosphoryl]oxybenzonitrile
CID 10017840
tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 101396180
[hydroxy-(4-methoxyphenoxy)phosphoryl]formic acid
CID 512082
N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine
CID 23274140
4-[(4-methoxyphenoxy)-morpholin-4-ylphosphoryl]morpholine
CID 3693433
2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene
CID 176916453
prop-1-ene;tris(4-methylphenyl) phosphate
CID 174447332
(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
CID 7004098
1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene
CID 59289670

Frequently Asked Questions

What is the IUPAC name of 1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene?
The IUPAC name of 1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene (CID 14641380) is 1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene.
What is the SMILES notation for 1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene?
The canonical SMILES for 1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene is C=CP(=O)(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1.
What is the InChIKey of 1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene?
The InChIKey is XBVQESWNYXEJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O5P/c1-4-22(17,20-15-9-5-13(18-2)6-10-15)21-16-11-7-14(19-3)8-12-16/h4-12H,1H2,2-3H3.
What are the key properties of 1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene?
1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene has a molecular weight of 320.28 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene is sourced from PubChem (CID 14641380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).