but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid

C16H20O6P2 — CID 175892525

IUPACbut-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid
SMILESCCC=CP(=O)(O)O.O=P(O)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11O3P.C4H9O3P/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11;1-2-3-4-8(5,6)7/h1-10H,(H,13,14);3-4H,2H2,1H3,(H2,5,6,7)
InChIKeyBQCVVGMHBNROOI-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.66
Rot. Bonds5

About but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid

but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid (PubChem CID 175892525) has the molecular formula C16H20O6P2 and a molecular weight of 370.28 g/mol. Its IUPAC name is but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid.

Molecular Properties

Compound Namebut-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid
PubChem CID175892525
Molecular FormulaC16H20O6P2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Namebut-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid
SMILESCCC=CP(=O)(O)O.O=P(O)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11O3P.C4H9O3P/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11;1-2-3-4-8(5,6)7/h1-10H,(H,13,14);3-4H,2H2,1H3,(H2,5,6,7)
InChIKeyBQCVVGMHBNROOI-UHFFFAOYSA-N
XLogP3.66
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-1-enyl(phenoxy)phosphinic acid
CID 139802043
phenoxy(phenyl)phosphinic acid;phosphenous acid
CID 174870906
phenoxy-(4-prop-2-enylphenyl)phosphinic acid
CID 141245969
[4-(4-butylphenyl)phenyl]-phenoxyphosphinic acid
CID 141245968
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
phenoxy-[4-(2,3,4-trimethylphenyl)phenyl]phosphinic acid
CID 141076733
diphenyl hydrogen phosphate;hept-2-ene
CID 160671397
[[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene
CID 134934628
(2-but-1-enylphenyl) dihydrogen phosphate
CID 66677779
CID 131875092
CID 131875092
diphenyl hydrogen phosphate;dihydrate
CID 21115845
diphenyl hydrogen phosphate;silane
CID 175425543

Frequently Asked Questions

What is the IUPAC name of but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid?
The IUPAC name of but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid (CID 175892525) is but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid.
What is the SMILES notation for but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid?
The canonical SMILES for but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid is CCC=CP(=O)(O)O.O=P(O)(Oc1ccccc1)c1ccccc1.
What is the InChIKey of but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid?
The InChIKey is BQCVVGMHBNROOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O3P.C4H9O3P/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11;1-2-3-4-8(5,6)7/h1-10H,(H,13,14);3-4H,2H2,1H3,(H2,5,6,7).
What are the key properties of but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid?
but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid has a molecular weight of 370.28 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid is sourced from PubChem (CID 175892525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).