(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane

C7H7O4P-2 — CID 7004098

IUPAC(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
SMILESCOc1ccc(P(=O)([O-])[O-])cc1
InChIInChI=1S/C7H9O4P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)/p-2
InChIKeySCMAYTUWDLAAAO-UHFFFAOYSA-L
MW186.10 g/mol
LogP-0.77
Rot. Bonds2

About (4-methoxyphenyl)-dioxido-oxo-λ5-phosphane

(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane (PubChem CID 7004098) has the molecular formula C7H7O4P-2 and a molecular weight of 186.10 g/mol. Its IUPAC name is (4-methoxyphenyl)-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
PubChem CID7004098
Molecular FormulaC7H7O4P-2
Molecular Weight186.10 g/mol
Exact Mass186.01
IUPAC Name(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
SMILESCOc1ccc(P(=O)([O-])[O-])cc1
InChIInChI=1S/C7H9O4P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)/p-2
InChIKeySCMAYTUWDLAAAO-UHFFFAOYSA-L
XLogP-0.77
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 5-0.77
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

dimagnesium;(4-butoxyphenyl)-dioxido-oxo-λ5-phosphane;dichloride
CID 153434115
2-methoxy-6-[(6-methoxynaphthalen-2-yl)-methylphosphoryl]naphthalene
CID 10595674
dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)
CID 175055456
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)
CID 173331709
(4-methoxyphenyl)-naphthalen-1-ylphosphinic acid
CID 54108452
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
2-bis(4-methoxyphenyl)phosphoryloxyphenol
CID 3304496
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
[hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)
CID 139085147
1-(2-diphenylphosphorylethynyl)-4-methoxybenzene
CID 53356159
chloro bis(4-methoxyphenyl) phosphate
CID 19821181
(4-methoxyphenoxy)phosphonamidic acid
CID 121349218

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-dioxido-oxo-λ5-phosphane?
The IUPAC name of (4-methoxyphenyl)-dioxido-oxo-λ5-phosphane (CID 7004098) is (4-methoxyphenyl)-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for (4-methoxyphenyl)-dioxido-oxo-λ5-phosphane?
The canonical SMILES for (4-methoxyphenyl)-dioxido-oxo-λ5-phosphane is COc1ccc(P(=O)([O-])[O-])cc1.
What is the InChIKey of (4-methoxyphenyl)-dioxido-oxo-λ5-phosphane?
The InChIKey is SCMAYTUWDLAAAO-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H9O4P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)/p-2.
What are the key properties of (4-methoxyphenyl)-dioxido-oxo-λ5-phosphane?
(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane has a molecular weight of 186.10 g/mol, XLogP of -0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 7004098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).