butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium

C13H18O2P+ — CID 11287855

IUPACbutoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium
SMILESCCCCO[P+](=O)C/C=C/c1ccccc1
InChIInChI=1S/C13H18O2P/c1-2-3-11-15-16(14)12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/q+1/b10-7+
InChIKeyKJNVWPXDWXCZQI-JXMROGBWSA-N
MW237.26 g/mol
LogP4.26
Rot. Bonds7

About butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium

butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium (PubChem CID 11287855) has the molecular formula C13H18O2P+ and a molecular weight of 237.26 g/mol. Its IUPAC name is butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium.

Molecular Properties

Compound Namebutoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium
PubChem CID11287855
Molecular FormulaC13H18O2P+
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Namebutoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium
SMILESCCCCO[P+](=O)C/C=C/c1ccccc1
InChIInChI=1S/C13H18O2P/c1-2-3-11-15-16(14)12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/q+1/b10-7+
InChIKeyKJNVWPXDWXCZQI-JXMROGBWSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
butyl 4-phenylbut-3-enoate
CID 575894
3-butoxypropyl-bis[(E)-3-phenylprop-2-enyl]azanium
CID 7323709
[(E)-octadec-1-enyl]benzene
CID 22722345
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
3-butoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine;hydrochloride
CID 17206554
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
benzene;but-1-enylbenzene
CID 157481332
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
5-ethoxypent-1-enylbenzene
CID 54285670
hex-1-enylbenzene;prop-1-ene
CID 157442084

Frequently Asked Questions

What is the IUPAC name of butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium?
The IUPAC name of butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium (CID 11287855) is butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium.
What is the SMILES notation for butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium?
The canonical SMILES for butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium is CCCCO[P+](=O)C/C=C/c1ccccc1.
What is the InChIKey of butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium?
The InChIKey is KJNVWPXDWXCZQI-JXMROGBWSA-N. The full InChI is InChI=1S/C13H18O2P/c1-2-3-11-15-16(14)12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/q+1/b10-7+.
What are the key properties of butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium?
butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium has a molecular weight of 237.26 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-oxo-[(E)-3-phenylprop-2-enyl]phosphanium is sourced from PubChem (CID 11287855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).