[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid

C11H15O5P — CID 70420158

IUPAC[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
SMILESCOc1ccc(CCC(=O)CP(=O)(O)O)cc1
InChIInChI=1S/C11H15O5P/c1-16-11-6-3-9(4-7-11)2-5-10(12)8-17(13,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,13,14,15)
InChIKeyNWDLNQDGUKHLRH-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.37
Rot. Bonds6

About [4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid

[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid (PubChem CID 70420158) has the molecular formula C11H15O5P and a molecular weight of 258.21 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
PubChem CID70420158
Molecular FormulaC11H15O5P
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Name[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
SMILESCOc1ccc(CCC(=O)CP(=O)(O)O)cc1
InChIInChI=1S/C11H15O5P/c1-16-11-6-3-9(4-7-11)2-5-10(12)8-17(13,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,13,14,15)
InChIKeyNWDLNQDGUKHLRH-UHFFFAOYSA-N
XLogP1.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-(4-methoxyphenyl)hexan-3-one
CID 66046584
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one
CID 104799534
1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65444925
[6-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-oxohexyl]phosphonic acid
CID 23435512
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
CID 106946853
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
1-(5-chloro-2-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 103052515
(Z)-1-(4-methoxyphenyl)non-7-en-3-one
CID 102031685
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid?
The IUPAC name of [4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid (CID 70420158) is [4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid.
What is the SMILES notation for [4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid?
The canonical SMILES for [4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid is COc1ccc(CCC(=O)CP(=O)(O)O)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid?
The InChIKey is NWDLNQDGUKHLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O5P/c1-16-11-6-3-9(4-7-11)2-5-10(12)8-17(13,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,13,14,15).
What are the key properties of [4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid?
[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid has a molecular weight of 258.21 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid is sourced from PubChem (CID 70420158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).