4-phenylpent-4-enoic acid;phosphenous acid

C11H13O4P — CID 175528610

IUPAC4-phenylpent-4-enoic acid;phosphenous acid
SMILESC=C(CCC(=O)O)c1ccccc1.O=PO
InChIInChI=1S/C11H12O2.HO2P/c1-9(7-8-11(12)13)10-5-3-2-4-6-10;1-3-2/h2-6H,1,7-8H2,(H,12,13);(H,1,2)
InChIKeyOPVIUERPVWXUPP-UHFFFAOYSA-N
MW240.19 g/mol
LogP2.75
Rot. Bonds4

About 4-phenylpent-4-enoic acid;phosphenous acid

4-phenylpent-4-enoic acid;phosphenous acid (PubChem CID 175528610) has the molecular formula C11H13O4P and a molecular weight of 240.19 g/mol. Its IUPAC name is 4-phenylpent-4-enoic acid;phosphenous acid.

Molecular Properties

Compound Name4-phenylpent-4-enoic acid;phosphenous acid
PubChem CID175528610
Molecular FormulaC11H13O4P
Molecular Weight240.19 g/mol
Exact Mass240.06
IUPAC Name4-phenylpent-4-enoic acid;phosphenous acid
SMILESC=C(CCC(=O)O)c1ccccc1.O=PO
InChIInChI=1S/C11H12O2.HO2P/c1-9(7-8-11(12)13)10-5-3-2-4-6-10;1-3-2/h2-6H,1,7-8H2,(H,12,13);(H,1,2)
InChIKeyOPVIUERPVWXUPP-UHFFFAOYSA-N
XLogP2.75
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylbut-3-enoic acid
CID 10702134
4-(4-cyanophenyl)pent-4-enoic acid
CID 102579433
4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
CID 2834574
pent-1-en-2-ylbenzene
CID 521761
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
4-anthracen-9-ylpent-4-enoic acid
CID 102308391
4-phenylhex-4-enoic acid
CID 67746450
CID 101454794
CID 101454794
trimethoxy(3-phenylbut-3-enyl)silane
CID 66830761
4-phenyl-N-[(1R)-1-phenylethyl]pent-4-enamide
CID 101165236
N-(4-phenylpent-4-enyl)acetamide
CID 10798197
1,1,1-trifluoro-8-phenylnon-8-en-2-one
CID 14435912

Frequently Asked Questions

What is the IUPAC name of 4-phenylpent-4-enoic acid;phosphenous acid?
The IUPAC name of 4-phenylpent-4-enoic acid;phosphenous acid (CID 175528610) is 4-phenylpent-4-enoic acid;phosphenous acid.
What is the SMILES notation for 4-phenylpent-4-enoic acid;phosphenous acid?
The canonical SMILES for 4-phenylpent-4-enoic acid;phosphenous acid is C=C(CCC(=O)O)c1ccccc1.O=PO.
What is the InChIKey of 4-phenylpent-4-enoic acid;phosphenous acid?
The InChIKey is OPVIUERPVWXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.HO2P/c1-9(7-8-11(12)13)10-5-3-2-4-6-10;1-3-2/h2-6H,1,7-8H2,(H,12,13);(H,1,2).
What are the key properties of 4-phenylpent-4-enoic acid;phosphenous acid?
4-phenylpent-4-enoic acid;phosphenous acid has a molecular weight of 240.19 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpent-4-enoic acid;phosphenous acid is sourced from PubChem (CID 175528610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).