(3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane

C28H28OP2 — CID 88654303

IUPAC(3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane
SMILESCOc1ccccc1P(c1ccccc1)C(P)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28OP2/c1-29-26-19-11-12-20-27(26)31(24-17-9-4-10-18-24)28(30)21-25(22-13-5-2-6-14-22)23-15-7-3-8-16-23/h2-20,25,28H,21,30H2,1H3
InChIKeyQFMRJMNCHRIUCX-UHFFFAOYSA-N
MW442.48 g/mol
LogP6.55
Rot. Bonds8

About (3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane

(3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane (PubChem CID 88654303) has the molecular formula C28H28OP2 and a molecular weight of 442.48 g/mol. Its IUPAC name is (3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane.

Molecular Properties

Compound Name(3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane
PubChem CID88654303
Molecular FormulaC28H28OP2
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name(3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane
SMILESCOc1ccccc1P(c1ccccc1)C(P)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28OP2/c1-29-26-19-11-12-20-27(26)31(24-17-9-4-10-18-24)28(30)21-25(22-13-5-2-6-14-22)23-15-7-3-8-16-23/h2-20,25,28H,21,30H2,1H3
InChIKeyQFMRJMNCHRIUCX-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol
CID 138732462
N-[dimethylamino-(2-methoxyphenyl)phosphanyl]-N-methylmethanamine
CID 11356569
(1R)-N-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-1-phenylethanamine
CID 102405942
3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol
CID 139228235
2-(2,2-diphenylethyl)-1,3-dimethoxybenzene
CID 57308610
(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-methylphosphanyl]ethyl]-phenylphosphane
CID 72586842
(1S,2R)-N-diphenylphosphanyl-1-[(2-methoxyphenyl)-phenylphosphanyl]oxy-N-methyl-1-phenylpropan-2-amine
CID 101003824
(2-methoxyphenyl)-phenoxy-phenylphosphane
CID 78037549
(2-methoxyphenyl)-phenoxy-phenylphosphane
CID 71212347
CID 16655301
CID 16655301
[2-[[2-di(propan-2-yl)phosphanylphenyl]-(2-methoxyphenyl)methyl]phenyl]-di(propan-2-yl)phosphane
CID 139112665
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499

Frequently Asked Questions

What is the IUPAC name of (3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane?
The IUPAC name of (3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane (CID 88654303) is (3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane.
What is the SMILES notation for (3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane?
The canonical SMILES for (3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane is COc1ccccc1P(c1ccccc1)C(P)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane?
The InChIKey is QFMRJMNCHRIUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28OP2/c1-29-26-19-11-12-20-27(26)31(24-17-9-4-10-18-24)28(30)21-25(22-13-5-2-6-14-22)23-15-7-3-8-16-23/h2-20,25,28H,21,30H2,1H3.
What are the key properties of (3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane?
(3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane has a molecular weight of 442.48 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenyl-1-phosphanylpropyl)-(2-methoxyphenyl)-phenylphosphane is sourced from PubChem (CID 88654303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).