(4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium

C10H12O3P+ — CID 173458426

IUPAC(4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium
SMILESO=[PH+]OC(CC=CO)c1ccccc1
InChIInChI=1S/C10H11O3P/c11-8-4-7-10(13-14-12)9-5-2-1-3-6-9/h1-6,8,10,14H,7H2/p+1
InChIKeyMGIFIEDCKGWZSI-UHFFFAOYSA-O
MW211.18 g/mol
LogP3.15
Rot. Bonds5

About (4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium

(4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium (PubChem CID 173458426) has the molecular formula C10H12O3P+ and a molecular weight of 211.18 g/mol. Its IUPAC name is (4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium.

Molecular Properties

Compound Name(4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium
PubChem CID173458426
Molecular FormulaC10H12O3P+
Molecular Weight211.18 g/mol
Exact Mass211.05
IUPAC Name(4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium
SMILESO=[PH+]OC(CC=CO)c1ccccc1
InChIInChI=1S/C10H11O3P/c11-8-4-7-10(13-14-12)9-5-2-1-3-6-9/h1-6,8,10,14H,7H2/p+1
InChIKeyMGIFIEDCKGWZSI-UHFFFAOYSA-O
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E,4S)-4-phenylhex-1-ene-1,6-diol
CID 134423361
7-methoxy-7-phenylhepta-2,4-dienoic acid
CID 74015255
[(Z)-1-phenylpent-3-enyl] benzoate
CID 15142799
[(E,1S,7R)-7-hydroxy-5-oxo-1,7-diphenylhept-3-enyl] formate
CID 100956986
4,4-bis(4-methoxyphenyl)but-1-en-1-ol
CID 174788315
[(E)-8-acetyloxy-1,8-diphenyloct-5-enyl] acetate
CID 66559815
7-methoxy-7-phenylhepta-2,4-dienoyl chloride
CID 91213709
(3-methyl-1-phenylbut-3-enyl) formate
CID 143506419
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
4-methyl-5-phenylpent-1-en-1-ol
CID 70372355
1-phenylbut-3-enyl carbamate
CID 126509930
1-phenylbut-3-enyl hydrogen sulfate
CID 87479107

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium?
The IUPAC name of (4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium (CID 173458426) is (4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium.
What is the SMILES notation for (4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium?
The canonical SMILES for (4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium is O=[PH+]OC(CC=CO)c1ccccc1.
What is the InChIKey of (4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium?
The InChIKey is MGIFIEDCKGWZSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11O3P/c11-8-4-7-10(13-14-12)9-5-2-1-3-6-9/h1-6,8,10,14H,7H2/p+1.
What are the key properties of (4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium?
(4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium has a molecular weight of 211.18 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium is sourced from PubChem (CID 173458426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).