[2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane

C39H50O4P2 — CID 102101698

IUPAC[2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane
SMILESCCOc1ccccc1P(CC(CC)(CC)CP(c1ccccc1OCC)c1ccccc1OCC)c1ccccc1OCC
InChIInChI=1S/C39H50O4P2/c1-7-39(8-2,29-44(35-25-17-13-21-31(35)40-9-3)36-26-18-14-22-32(36)41-10-4)30-45(37-27-19-15-23-33(37)42-11-5)38-28-20-16-24-34(38)43-12-6/h13-28H,7-12,29-30H2,1-6H3
InChIKeyZXTJDPQEZDRJSM-UHFFFAOYSA-N
MW644.77 g/mol
LogP8.65
Rot. Bonds18

About [2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane

[2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane (PubChem CID 102101698) has the molecular formula C39H50O4P2 and a molecular weight of 644.77 g/mol. Its IUPAC name is [2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane.

Molecular Properties

Compound Name[2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane
PubChem CID102101698
Molecular FormulaC39H50O4P2
Molecular Weight644.77 g/mol
Exact Mass644.32
IUPAC Name[2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane
SMILESCCOc1ccccc1P(CC(CC)(CC)CP(c1ccccc1OCC)c1ccccc1OCC)c1ccccc1OCC
InChIInChI=1S/C39H50O4P2/c1-7-39(8-2,29-44(35-25-17-13-21-31(35)40-9-3)36-26-18-14-22-32(36)41-10-4)30-45(37-27-19-15-23-33(37)42-11-5)38-28-20-16-24-34(38)43-12-6/h13-28H,7-12,29-30H2,1-6H3
InChIKeyZXTJDPQEZDRJSM-UHFFFAOYSA-N
XLogP8.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.77
LogP ≤ 58.65
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-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane
CID 138520904
(4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane
CID 23044751
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
(2-ethoxyphenyl)phosphane
CID 19813759
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
2-(2-ethoxyphenoxy)-2-methylbutanoic acid
CID 114990551
ethoxybenzene;molecular iodine
CID 67763605
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
2,4,6-tris(2-ethoxyphenyl)-1,3,5,2,4,6-trioxatriborinane
CID 54222108

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane?
The IUPAC name of [2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane (CID 102101698) is [2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane.
What is the SMILES notation for [2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane?
The canonical SMILES for [2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane is CCOc1ccccc1P(CC(CC)(CC)CP(c1ccccc1OCC)c1ccccc1OCC)c1ccccc1OCC.
What is the InChIKey of [2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane?
The InChIKey is ZXTJDPQEZDRJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50O4P2/c1-7-39(8-2,29-44(35-25-17-13-21-31(35)40-9-3)36-26-18-14-22-32(36)41-10-4)30-45(37-27-19-15-23-33(37)42-11-5)38-28-20-16-24-34(38)43-12-6/h13-28H,7-12,29-30H2,1-6H3.
What are the key properties of [2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane?
[2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane has a molecular weight of 644.77 g/mol, XLogP of 8.65, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane is sourced from PubChem (CID 102101698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).