bis(2,6-dipropoxyphenyl)-phenylphosphane

C30H39O4P — CID 13087616

IUPACbis(2,6-dipropoxyphenyl)-phenylphosphane
SMILESCCCOc1cccc(OCCC)c1P(c1ccccc1)c1c(OCCC)cccc1OCCC
InChIInChI=1S/C30H39O4P/c1-5-20-31-25-16-12-17-26(32-21-6-2)29(25)35(24-14-10-9-11-15-24)30-27(33-22-7-3)18-13-19-28(30)34-23-8-4/h9-19H,5-8,20-23H2,1-4H3
InChIKeyISGJBPAFKCRSOI-UHFFFAOYSA-N
MW494.61 g/mol
LogP6.60
Rot. Bonds15

About bis(2,6-dipropoxyphenyl)-phenylphosphane

bis(2,6-dipropoxyphenyl)-phenylphosphane (PubChem CID 13087616) has the molecular formula C30H39O4P and a molecular weight of 494.61 g/mol. Its IUPAC name is bis(2,6-dipropoxyphenyl)-phenylphosphane.

Molecular Properties

Compound Namebis(2,6-dipropoxyphenyl)-phenylphosphane
PubChem CID13087616
Molecular FormulaC30H39O4P
Molecular Weight494.61 g/mol
Exact Mass494.26
IUPAC Namebis(2,6-dipropoxyphenyl)-phenylphosphane
SMILESCCCOc1cccc(OCCC)c1P(c1ccccc1)c1c(OCCC)cccc1OCCC
InChIInChI=1S/C30H39O4P/c1-5-20-31-25-16-12-17-26(32-21-6-2)29(25)35(24-14-10-9-11-15-24)30-27(33-22-7-3)18-13-19-28(30)34-23-8-4/h9-19H,5-8,20-23H2,1-4H3
InChIKeyISGJBPAFKCRSOI-UHFFFAOYSA-N
XLogP6.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.61
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dipropoxyphenyl)-diphenylphosphane
CID 13087576
potassium 2-propoxyphenolate
CID 23686802
butane;triphenylphosphane
CID 161447439
2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol
CID 12977583
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
2-phenyl-3-propoxyphenol
CID 155695054
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
(2-methoxy-6-propoxyphenyl)methanamine
CID 118156685
(2-propoxyphenyl)boronic acid
CID 4219796
2-methyl-3-propoxyaniline
CID 23134606
1-(bromomethyl)-2-propoxybenzene
CID 43141572
1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dipropoxyphenyl)-phenylphosphane?
The IUPAC name of bis(2,6-dipropoxyphenyl)-phenylphosphane (CID 13087616) is bis(2,6-dipropoxyphenyl)-phenylphosphane.
What is the SMILES notation for bis(2,6-dipropoxyphenyl)-phenylphosphane?
The canonical SMILES for bis(2,6-dipropoxyphenyl)-phenylphosphane is CCCOc1cccc(OCCC)c1P(c1ccccc1)c1c(OCCC)cccc1OCCC.
What is the InChIKey of bis(2,6-dipropoxyphenyl)-phenylphosphane?
The InChIKey is ISGJBPAFKCRSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39O4P/c1-5-20-31-25-16-12-17-26(32-21-6-2)29(25)35(24-14-10-9-11-15-24)30-27(33-22-7-3)18-13-19-28(30)34-23-8-4/h9-19H,5-8,20-23H2,1-4H3.
What are the key properties of bis(2,6-dipropoxyphenyl)-phenylphosphane?
bis(2,6-dipropoxyphenyl)-phenylphosphane has a molecular weight of 494.61 g/mol, XLogP of 6.60, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dipropoxyphenyl)-phenylphosphane is sourced from PubChem (CID 13087616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).