but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid

C12H15O3P — CID 88759865

IUPACbut-3-en-2-yloxy(1-phenylethenyl)phosphinic acid
SMILESC=CC(C)OP(=O)(O)C(=C)c1ccccc1
InChIInChI=1S/C12H15O3P/c1-4-10(2)15-16(13,14)11(3)12-8-6-5-7-9-12/h4-10H,1,3H2,2H3,(H,13,14)
InChIKeyUYIDVYNKDCPBFW-UHFFFAOYSA-N
MW238.22 g/mol
LogP3.43
Rot. Bonds5

About but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid

but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid (PubChem CID 88759865) has the molecular formula C12H15O3P and a molecular weight of 238.22 g/mol. Its IUPAC name is but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid.

Molecular Properties

Compound Namebut-3-en-2-yloxy(1-phenylethenyl)phosphinic acid
PubChem CID88759865
Molecular FormulaC12H15O3P
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Namebut-3-en-2-yloxy(1-phenylethenyl)phosphinic acid
SMILESC=CC(C)OP(=O)(O)C(=C)c1ccccc1
InChIInChI=1S/C12H15O3P/c1-4-10(2)15-16(13,14)11(3)12-8-6-5-7-9-12/h4-10H,1,3H2,2H3,(H,13,14)
InChIKeyUYIDVYNKDCPBFW-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid
CID 88760741
1-dimethylphosphorylethenylbenzene
CID 89402997
(2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine
CID 164590594
N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine
CID 71427934
but-3-en-2-yloxy(ethenyl)phosphinic acid
CID 88761549
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
1-dimethylphosphoryloxyethenylbenzene
CID 12869457
methylphosphonic acid;phenol
CID 175231709
4-hydroxy-2-methyl-1-phenylhex-5-en-1-one
CID 139841493
phenol;prop-2-enyl dihydrogen phosphate
CID 66654883
phenyl-(1-phenylethenyl)-propan-2-yl-sulfanylidene-λ5-phosphane
CID 164669301

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid?
The IUPAC name of but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid (CID 88759865) is but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid.
What is the SMILES notation for but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid?
The canonical SMILES for but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid is C=CC(C)OP(=O)(O)C(=C)c1ccccc1.
What is the InChIKey of but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid?
The InChIKey is UYIDVYNKDCPBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O3P/c1-4-10(2)15-16(13,14)11(3)12-8-6-5-7-9-12/h4-10H,1,3H2,2H3,(H,13,14).
What are the key properties of but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid?
but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid has a molecular weight of 238.22 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid is sourced from PubChem (CID 88759865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).