[(E)-2-phenylprop-1-enyl]phosphonic acid

C9H11O3P — CID 10954513

IUPAC[(E)-2-phenylprop-1-enyl]phosphonic acid
SMILESC/C(=C\P(=O)(O)O)c1ccccc1
InChIInChI=1S/C9H11O3P/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,10,11,12)/b8-7+
InChIKeyPZAGIAVNUJCHKC-BQYQJAHWSA-N
MW198.16 g/mol
LogP2.23
Rot. Bonds2

About [(E)-2-phenylprop-1-enyl]phosphonic acid

[(E)-2-phenylprop-1-enyl]phosphonic acid (PubChem CID 10954513) has the molecular formula C9H11O3P and a molecular weight of 198.16 g/mol. Its IUPAC name is [(E)-2-phenylprop-1-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-2-phenylprop-1-enyl]phosphonic acid
PubChem CID10954513
Molecular FormulaC9H11O3P
Molecular Weight198.16 g/mol
Exact Mass198.04
IUPAC Name[(E)-2-phenylprop-1-enyl]phosphonic acid
SMILESC/C(=C\P(=O)(O)O)c1ccccc1
InChIInChI=1S/C9H11O3P/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,10,11,12)/b8-7+
InChIKeyPZAGIAVNUJCHKC-BQYQJAHWSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene
CID 165353405
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
[phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene
CID 134934290
4-phenylpent-3-en-2-one
CID 594380
1-bromoprop-1-en-2-ylbenzene
CID 5152757
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
1-iodoprop-1-en-2-ylbenzene
CID 54065087
ethane;4-phenylpent-3-en-2-one
CID 123324566
[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 91322259
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
3-phenylbut-2-enoate
CID 6995278
(1S)-1-dimethoxyphosphoryl-3-phenylbut-2-en-1-ol
CID 57315099

Frequently Asked Questions

What is the IUPAC name of [(E)-2-phenylprop-1-enyl]phosphonic acid?
The IUPAC name of [(E)-2-phenylprop-1-enyl]phosphonic acid (CID 10954513) is [(E)-2-phenylprop-1-enyl]phosphonic acid.
What is the SMILES notation for [(E)-2-phenylprop-1-enyl]phosphonic acid?
The canonical SMILES for [(E)-2-phenylprop-1-enyl]phosphonic acid is C/C(=C\P(=O)(O)O)c1ccccc1.
What is the InChIKey of [(E)-2-phenylprop-1-enyl]phosphonic acid?
The InChIKey is PZAGIAVNUJCHKC-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H11O3P/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,10,11,12)/b8-7+.
What are the key properties of [(E)-2-phenylprop-1-enyl]phosphonic acid?
[(E)-2-phenylprop-1-enyl]phosphonic acid has a molecular weight of 198.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-phenylprop-1-enyl]phosphonic acid is sourced from PubChem (CID 10954513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).