(E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate

C21H18OP- — CID 101162589

IUPAC(E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate
SMILESC/C(=C(\[O-])c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19OP/c1-17(21(22)18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,22H,1H3/p-1/b21-17+
InChIKeyONOPKBHDCIINIO-HEHNFIMWSA-M
MW317.35 g/mol
LogP3.87
Rot. Bonds4

About (E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate

(E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate (PubChem CID 101162589) has the molecular formula C21H18OP- and a molecular weight of 317.35 g/mol. Its IUPAC name is (E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate.

Molecular Properties

Compound Name(E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate
PubChem CID101162589
Molecular FormulaC21H18OP-
Molecular Weight317.35 g/mol
Exact Mass317.11
IUPAC Name(E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate
SMILESC/C(=C(\[O-])c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19OP/c1-17(21(22)18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,22H,1H3/p-1/b21-17+
InChIKeyONOPKBHDCIINIO-HEHNFIMWSA-M
XLogP3.87
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-1,2-diphenylethene-1,2-diolate
CID 14292352
(Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate
CID 134090409
palladium(2+);triphenylphosphane;diacetate
CID 11554889
copper(1+);tris(triphenylphosphane);acetate
CID 56954258
copper(1+);bis(triphenylphosphane);acetate
CID 175797724
gold(3+);triphenylphosphane;triacetate
CID 160881940
acetic acid;chlororuthenium;tris(triphenylphosphane)
CID 172641403
N,N-dimethylacetamide;triphenylphosphane
CID 88649560
buta-2,3-dien-2-yl(diphenyl)phosphane
CID 23270104
sodium (E)-1-hydroxy-1-phenylprop-1-en-2-olate
CID 139880916
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
propan-2-one;triphenylphosphane;hydrate
CID 118484852

Frequently Asked Questions

What is the IUPAC name of (E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate?
The IUPAC name of (E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate (CID 101162589) is (E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate.
What is the SMILES notation for (E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate?
The canonical SMILES for (E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate is C/C(=C(\[O-])c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate?
The InChIKey is ONOPKBHDCIINIO-HEHNFIMWSA-M. The full InChI is InChI=1S/C21H19OP/c1-17(21(22)18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,22H,1H3/p-1/b21-17+.
What are the key properties of (E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate?
(E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate has a molecular weight of 317.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diphenylphosphanyl-1-phenylprop-1-en-1-olate is sourced from PubChem (CID 101162589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).