1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride

C21H22ClP — CID 173459129

IUPAC1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride
SMILESCl.c1ccc(CC(Cc2ccccc2)Pc2ccccc2)cc1
InChIInChI=1S/C21H21P.ClH/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20;/h1-15,21-22H,16-17H2;1H
InChIKeyDVBKNWYFCAYWOV-UHFFFAOYSA-N
MW340.83 g/mol
LogP5.27
Rot. Bonds6

About 1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride

1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride (PubChem CID 173459129) has the molecular formula C21H22ClP and a molecular weight of 340.83 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride.

Molecular Properties

Compound Name1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride
PubChem CID173459129
Molecular FormulaC21H22ClP
Molecular Weight340.83 g/mol
Exact Mass340.11
IUPAC Name1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride
SMILESCl.c1ccc(CC(Cc2ccccc2)Pc2ccccc2)cc1
InChIInChI=1S/C21H21P.ClH/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20;/h1-15,21-22H,16-17H2;1H
InChIKeyDVBKNWYFCAYWOV-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.83
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylpropan-2-ylazanium chloride
CID 67842912
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
1,3-diphenylpropan-2-ylsilane
CID 123615026
1-chloro-2-phenylethanol;hydrochloride
CID 174648603
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
2-(1-phenylpropan-2-ylsulfanyl)propylbenzene
CID 54020094
2,2-bis(phenylphosphanyl)ethanamine
CID 166453804
2-iodobutylbenzene
CID 11196235
ethane;2-methylpropylbenzene
CID 162200929
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
[3,3,3-trifluoro-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 71651377
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride?
The IUPAC name of 1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride (CID 173459129) is 1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride.
What is the SMILES notation for 1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride?
The canonical SMILES for 1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride is Cl.c1ccc(CC(Cc2ccccc2)Pc2ccccc2)cc1.
What is the InChIKey of 1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride?
The InChIKey is DVBKNWYFCAYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21P.ClH/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20;/h1-15,21-22H,16-17H2;1H.
What are the key properties of 1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride?
1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride has a molecular weight of 340.83 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-yl(phenyl)phosphane;hydrochloride is sourced from PubChem (CID 173459129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).