ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate

C26H24ClO3P — CID 139792622

IUPACethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C26H24ClO3P/c1-2-29-26(28)25-19-18-21(30-25)20-31(27,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19H,2,20H2,1H3
InChIKeyRMVVQQTXIKTSBP-UHFFFAOYSA-N
MW450.90 g/mol
LogP5.64
Rot. Bonds7

About ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate

ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate (PubChem CID 139792622) has the molecular formula C26H24ClO3P and a molecular weight of 450.90 g/mol. Its IUPAC name is ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate
PubChem CID139792622
Molecular FormulaC26H24ClO3P
Molecular Weight450.90 g/mol
Exact Mass450.12
IUPAC Nameethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C26H24ClO3P/c1-2-29-26(28)25-19-18-21(30-25)20-31(27,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19H,2,20H2,1H3
InChIKeyRMVVQQTXIKTSBP-UHFFFAOYSA-N
XLogP5.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.90
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
CID 71976289
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368
ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate
CID 175474238
ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 10681846
3-[(5-ethoxycarbonylfuran-2-yl)methyl]pentan-3-ylazanium
CID 22299463
zinc;ethyl 5-methanidylfuran-2-carboxylate;chloride
CID 57349193
bis(carbon dioxide);ethyl 5-ethylfuran-2-carboxylate;furan-2-carboxylic acid
CID 159863947
ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
CID 28913574
ethyl 5-(2,2-dichloroacetyl)furan-2-carboxylate
CID 146010164
ethyl 5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylate
CID 660624
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate (CID 139792622) is ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate?
The InChIKey is RMVVQQTXIKTSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClO3P/c1-2-29-26(28)25-19-18-21(30-25)20-31(27,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19H,2,20H2,1H3.
What are the key properties of ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate?
ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate has a molecular weight of 450.90 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate is sourced from PubChem (CID 139792622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).