(2-benzyl-1,1-diphenylprop-2-enyl)phosphane

C22H21P — CID 70587921

IUPAC(2-benzyl-1,1-diphenylprop-2-enyl)phosphane
SMILESC=C(Cc1ccccc1)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21P/c1-18(17-19-11-5-2-6-12-19)22(23,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,1,17,23H2
InChIKeyPQYLJLKTXWLOOX-UHFFFAOYSA-N
MW316.38 g/mol
LogP5.60
Rot. Bonds5

About (2-benzyl-1,1-diphenylprop-2-enyl)phosphane

(2-benzyl-1,1-diphenylprop-2-enyl)phosphane (PubChem CID 70587921) has the molecular formula C22H21P and a molecular weight of 316.38 g/mol. Its IUPAC name is (2-benzyl-1,1-diphenylprop-2-enyl)phosphane.

Molecular Properties

Compound Name(2-benzyl-1,1-diphenylprop-2-enyl)phosphane
PubChem CID70587921
Molecular FormulaC22H21P
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name(2-benzyl-1,1-diphenylprop-2-enyl)phosphane
SMILESC=C(Cc1ccccc1)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21P/c1-18(17-19-11-5-2-6-12-19)22(23,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,1,17,23H2
InChIKeyPQYLJLKTXWLOOX-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-benzyl-1,1-diphenylprop-2-enyl)phosphane;hydrobromide
CID 173442565
2-methyl-2-(3-phenylprop-1-en-2-yl)propanedioic acid
CID 11948255
[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
3-phenylprop-1-en-2-ylboronic acid
CID 139035247
2-methylidenebutylbenzene
CID 10964655
2,4-dibenzylpenta-1,4-dien-3-ol
CID 102034029
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
trimethyl(3-phenylprop-1-en-2-yl)silane
CID 530293
3-benzylbut-3-en-1-ol
CID 22764430
formaldehyde;2-phenylacetic acid
CID 70638018
[diphenyl(phosphanyl)methyl]phosphane
CID 23002363

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,1-diphenylprop-2-enyl)phosphane?
The IUPAC name of (2-benzyl-1,1-diphenylprop-2-enyl)phosphane (CID 70587921) is (2-benzyl-1,1-diphenylprop-2-enyl)phosphane.
What is the SMILES notation for (2-benzyl-1,1-diphenylprop-2-enyl)phosphane?
The canonical SMILES for (2-benzyl-1,1-diphenylprop-2-enyl)phosphane is C=C(Cc1ccccc1)C(P)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzyl-1,1-diphenylprop-2-enyl)phosphane?
The InChIKey is PQYLJLKTXWLOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21P/c1-18(17-19-11-5-2-6-12-19)22(23,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,1,17,23H2.
What are the key properties of (2-benzyl-1,1-diphenylprop-2-enyl)phosphane?
(2-benzyl-1,1-diphenylprop-2-enyl)phosphane has a molecular weight of 316.38 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,1-diphenylprop-2-enyl)phosphane is sourced from PubChem (CID 70587921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).