[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate

C12H16O4P- — CID 172675748

IUPAC[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate
SMILESC/C(=C\CCP(=O)([O-])Oc1ccccc1)CO
InChIInChI=1S/C12H17O4P/c1-11(10-13)6-5-9-17(14,15)16-12-7-3-2-4-8-12/h2-4,6-8,13H,5,9-10H2,1H3,(H,14,15)/p-1/b11-6+
InChIKeyDDDRAYWJOMEWHJ-IZZDOVSWSA-M
MW255.23 g/mol
LogP1.95
Rot. Bonds6

About [(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate

[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate (PubChem CID 172675748) has the molecular formula C12H16O4P- and a molecular weight of 255.23 g/mol. Its IUPAC name is [(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate.

Molecular Properties

Compound Name[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate
PubChem CID172675748
Molecular FormulaC12H16O4P-
Molecular Weight255.23 g/mol
Exact Mass255.08
IUPAC Name[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate
SMILESC/C(=C\CCP(=O)([O-])Oc1ccccc1)CO
InChIInChI=1S/C12H17O4P/c1-11(10-13)6-5-9-17(14,15)16-12-7-3-2-4-8-12/h2-4,6-8,13H,5,9-10H2,1H3,(H,14,15)/p-1/b11-6+
InChIKeyDDDRAYWJOMEWHJ-IZZDOVSWSA-M
XLogP1.95
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2S)-2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]propanoate
CID 153387978
(2S)-2-[2-hydroxyethyl-[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]propanoic acid
CID 171836004
4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine
CID 162432067
zinc ethyl(phenoxy)phosphinate
CID 118975861
(2S)-2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-(4-iodophenoxy)phosphoryl]amino]propanoic acid
CID 171775227
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
2-(dimethylazaniumyl)ethyl phenyl phosphate;ethane;1-hydroxypropan-2-one
CID 157296988
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
disodium;(E)-2-methyl-7-phosphonatohept-2-en-1-ol
CID 155542514
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
cesium phenyl hydrogen phosphate
CID 175568082

Frequently Asked Questions

What is the IUPAC name of [(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate?
The IUPAC name of [(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate (CID 172675748) is [(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate.
What is the SMILES notation for [(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate?
The canonical SMILES for [(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate is C/C(=C\CCP(=O)([O-])Oc1ccccc1)CO.
What is the InChIKey of [(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate?
The InChIKey is DDDRAYWJOMEWHJ-IZZDOVSWSA-M. The full InChI is InChI=1S/C12H17O4P/c1-11(10-13)6-5-9-17(14,15)16-12-7-3-2-4-8-12/h2-4,6-8,13H,5,9-10H2,1H3,(H,14,15)/p-1/b11-6+.
What are the key properties of [(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate?
[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate has a molecular weight of 255.23 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate is sourced from PubChem (CID 172675748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).