[(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane

C23H24ClOP — CID 135049691

IUPAC[(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane
SMILESC/C=C/COCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24ClOP/c1-2-3-19-25-20-26(24,21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h2-18H,19-20H2,1H3/b3-2+
InChIKeyOZRFBZFIBIYBHP-NSCUHMNNSA-N
MW382.87 g/mol
LogP5.22
Rot. Bonds7

About [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane

[(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane (PubChem CID 135049691) has the molecular formula C23H24ClOP and a molecular weight of 382.87 g/mol. Its IUPAC name is [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane
PubChem CID135049691
Molecular FormulaC23H24ClOP
Molecular Weight382.87 g/mol
Exact Mass382.13
IUPAC Name[(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane
SMILESC/C=C/COCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24ClOP/c1-2-3-19-25-20-26(24,21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h2-18H,19-20H2,1H3/b3-2+
InChIKeyOZRFBZFIBIYBHP-NSCUHMNNSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane 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

N-[(E)-but-2-enoxy]-1-phenylmethanamine
CID 100914451
chloro-ethyl-triphenyl-λ5-phosphane
CID 12903040
but-2-enoxybenzene
CID 564963
chloro-triphenyl-[(E)-prop-1-enyl]-λ5-phosphane
CID 5377615
but-2-enylperoxybenzene
CID 159061955
but-2-enoxy(triphenyl)silane
CID 4292154
1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene
CID 101341939
N-[[2-(but-2-enoxymethyl)phenyl]methyl]propan-2-amine
CID 76943723
benzyl-chloro-triphenyl-lambda5-phosphane
CID 631738
1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene
CID 102197349
1-but-2-enoxy-3-(triphenyl-λ5-phosphanylidene)propan-2-one
CID 71324829
[(E)-but-2-enyl] benzoate
CID 5352600

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane?
The IUPAC name of [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane (CID 135049691) is [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane.
What is the SMILES notation for [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane?
The canonical SMILES for [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane is C/C=C/COCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane?
The InChIKey is OZRFBZFIBIYBHP-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H24ClOP/c1-2-3-19-25-20-26(24,21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h2-18H,19-20H2,1H3/b3-2+.
What are the key properties of [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane?
[(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane has a molecular weight of 382.87 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enoxy]methyl-chloro-triphenyl-λ5-phosphane is sourced from PubChem (CID 135049691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).