tris(3,5-diethoxyphenyl)phosphane

C30H39O6P — CID 22768293

IUPACtris(3,5-diethoxyphenyl)phosphane
SMILESCCOc1cc(OCC)cc(P(c2cc(OCC)cc(OCC)c2)c2cc(OCC)cc(OCC)c2)c1
InChIInChI=1S/C30H39O6P/c1-7-31-22-13-23(32-8-2)17-28(16-22)37(29-18-24(33-9-3)14-25(19-29)34-10-4)30-20-26(35-11-5)15-27(21-30)36-12-6/h13-21H,7-12H2,1-6H3
InChIKeyFYCOHLXNZUIOEO-UHFFFAOYSA-N
MW526.61 g/mol
LogP5.84
Rot. Bonds15

About tris(3,5-diethoxyphenyl)phosphane

tris(3,5-diethoxyphenyl)phosphane (PubChem CID 22768293) has the molecular formula C30H39O6P and a molecular weight of 526.61 g/mol. Its IUPAC name is tris(3,5-diethoxyphenyl)phosphane.

Molecular Properties

Compound Nametris(3,5-diethoxyphenyl)phosphane
PubChem CID22768293
Molecular FormulaC30H39O6P
Molecular Weight526.61 g/mol
Exact Mass526.25
IUPAC Nametris(3,5-diethoxyphenyl)phosphane
SMILESCCOc1cc(OCC)cc(P(c2cc(OCC)cc(OCC)c2)c2cc(OCC)cc(OCC)c2)c1
InChIInChI=1S/C30H39O6P/c1-7-31-22-13-23(32-8-2)17-28(16-22)37(29-18-24(33-9-3)14-25(19-29)34-10-4)30-20-26(35-11-5)15-27(21-30)36-12-6/h13-21H,7-12H2,1-6H3
InChIKeyFYCOHLXNZUIOEO-UHFFFAOYSA-N
XLogP5.84
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.61
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-diethoxyaniline
CID 22605063
1-bromo-3,5-diethoxybenzene
CID 150473293
bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane
CID 123507229
5-ethoxy-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 167873976
1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene
CID 170603030
(2R)-1-(3,5-diethoxyphenyl)propan-2-amine
CID 139743645
1-(3,5-diethoxyphenyl)-2-methylpropan-1-ol
CID 70065234
2,6-dibromo-4-ethoxyaniline
CID 14043930
2-chloro-5-ethoxy-1,3-difluorobenzene
CID 118847384
bis(4-ethoxyphenyl)phosphinous acid
CID 138526772
CID 90889125
CID 90889125
3-ethoxy-5-methylaniline
CID 67863452

Frequently Asked Questions

What is the IUPAC name of tris(3,5-diethoxyphenyl)phosphane?
The IUPAC name of tris(3,5-diethoxyphenyl)phosphane (CID 22768293) is tris(3,5-diethoxyphenyl)phosphane.
What is the SMILES notation for tris(3,5-diethoxyphenyl)phosphane?
The canonical SMILES for tris(3,5-diethoxyphenyl)phosphane is CCOc1cc(OCC)cc(P(c2cc(OCC)cc(OCC)c2)c2cc(OCC)cc(OCC)c2)c1.
What is the InChIKey of tris(3,5-diethoxyphenyl)phosphane?
The InChIKey is FYCOHLXNZUIOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39O6P/c1-7-31-22-13-23(32-8-2)17-28(16-22)37(29-18-24(33-9-3)14-25(19-29)34-10-4)30-20-26(35-11-5)15-27(21-30)36-12-6/h13-21H,7-12H2,1-6H3.
What are the key properties of tris(3,5-diethoxyphenyl)phosphane?
tris(3,5-diethoxyphenyl)phosphane has a molecular weight of 526.61 g/mol, XLogP of 5.84, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-diethoxyphenyl)phosphane is sourced from PubChem (CID 22768293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).