3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane

C43H58O8P2 — CID 19858272

IUPAC3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane
SMILESCCOc1ccc(P(CCCP(c2ccc(OCC)cc2OCC)c2ccc(OCC)cc2OCC)c2ccc(OCC)cc2OCC)c(OCC)c1
InChIInChI=1S/C43H58O8P2/c1-9-44-32-18-22-40(36(28-32)48-13-5)52(41-23-19-33(45-10-2)29-37(41)49-14-6)26-17-27-53(42-24-20-34(46-11-3)30-38(42)50-15-7)43-25-21-35(47-12-4)31-39(43)51-16-8/h18-25,28-31H,9-17,26-27H2,1-8H3
InChIKeyRXPIIPVVYYNKFG-UHFFFAOYSA-N
MW764.88 g/mol
LogP8.83
Rot. Bonds24

About 3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane

3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane (PubChem CID 19858272) has the molecular formula C43H58O8P2 and a molecular weight of 764.88 g/mol. Its IUPAC name is 3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane.

Molecular Properties

Compound Name3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane
PubChem CID19858272
Molecular FormulaC43H58O8P2
Molecular Weight764.88 g/mol
Exact Mass764.36
IUPAC Name3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane
SMILESCCOc1ccc(P(CCCP(c2ccc(OCC)cc2OCC)c2ccc(OCC)cc2OCC)c2ccc(OCC)cc2OCC)c(OCC)c1
InChIInChI=1S/C43H58O8P2/c1-9-44-32-18-22-40(36(28-32)48-13-5)52(41-23-19-33(45-10-2)29-37(41)49-14-6)26-17-27-53(42-24-20-34(46-11-3)30-38(42)50-15-7)43-25-21-35(47-12-4)31-39(43)51-16-8/h18-25,28-31H,9-17,26-27H2,1-8H3
InChIKeyRXPIIPVVYYNKFG-UHFFFAOYSA-N
XLogP8.83
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.88
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
CID 121438268
(2,5-diethoxyphenyl)boronic acid
CID 45094210
[(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone
CID 154304054
2,4-diethoxy-1-phenylbenzene
CID 132889855
2,4-diethoxybenzoate
CID 6951194
2,4-diethoxybenzamide
CID 17145726
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
2,6-diethoxyanthracene
CID 12651989
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
4-ethoxy-2-methoxyphenol
CID 54107015
2-ethoxy-4-pentoxyaniline
CID 63678215
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457

Frequently Asked Questions

What is the IUPAC name of 3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane?
The IUPAC name of 3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane (CID 19858272) is 3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane.
What is the SMILES notation for 3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane?
The canonical SMILES for 3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane is CCOc1ccc(P(CCCP(c2ccc(OCC)cc2OCC)c2ccc(OCC)cc2OCC)c2ccc(OCC)cc2OCC)c(OCC)c1.
What is the InChIKey of 3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane?
The InChIKey is RXPIIPVVYYNKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H58O8P2/c1-9-44-32-18-22-40(36(28-32)48-13-5)52(41-23-19-33(45-10-2)29-37(41)49-14-6)26-17-27-53(42-24-20-34(46-11-3)30-38(42)50-15-7)43-25-21-35(47-12-4)31-39(43)51-16-8/h18-25,28-31H,9-17,26-27H2,1-8H3.
What are the key properties of 3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane?
3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane has a molecular weight of 764.88 g/mol, XLogP of 8.83, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane is sourced from PubChem (CID 19858272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).