tris(2,4,6-trimethoxyphenyl)phosphane

C27H33O9P — CID 522987

IUPACtris(2,4,6-trimethoxyphenyl)phosphane
SMILESCOc1cc(OC)c(P(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C27H33O9P/c1-28-16-10-19(31-4)25(20(11-16)32-5)37(26-21(33-6)12-17(29-2)13-22(26)34-7)27-23(35-8)14-18(30-3)15-24(27)36-9/h10-15H,1-9H3
InChIKeyJQKHNBQZGUKYPX-UHFFFAOYSA-N
MW532.53 g/mol
LogP3.52
Rot. Bonds12

About tris(2,4,6-trimethoxyphenyl)phosphane

tris(2,4,6-trimethoxyphenyl)phosphane (PubChem CID 522987) has the molecular formula C27H33O9P and a molecular weight of 532.53 g/mol. Its IUPAC name is tris(2,4,6-trimethoxyphenyl)phosphane.

Molecular Properties

Compound Nametris(2,4,6-trimethoxyphenyl)phosphane
PubChem CID522987
Molecular FormulaC27H33O9P
Molecular Weight532.53 g/mol
Exact Mass532.19
IUPAC Nametris(2,4,6-trimethoxyphenyl)phosphane
SMILESCOc1cc(OC)c(P(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C27H33O9P/c1-28-16-10-19(31-4)25(20(11-16)32-5)37(26-21(33-6)12-17(29-2)13-22(26)34-7)27-23(35-8)14-18(30-3)15-24(27)36-9/h10-15H,1-9H3
InChIKeyJQKHNBQZGUKYPX-UHFFFAOYSA-N
XLogP3.52
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2,4,6-trimethoxyphenyl)phosphane?
The IUPAC name of tris(2,4,6-trimethoxyphenyl)phosphane (CID 522987) is tris(2,4,6-trimethoxyphenyl)phosphane.
What is the SMILES notation for tris(2,4,6-trimethoxyphenyl)phosphane?
The canonical SMILES for tris(2,4,6-trimethoxyphenyl)phosphane is COc1cc(OC)c(P(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of tris(2,4,6-trimethoxyphenyl)phosphane?
The InChIKey is JQKHNBQZGUKYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33O9P/c1-28-16-10-19(31-4)25(20(11-16)32-5)37(26-21(33-6)12-17(29-2)13-22(26)34-7)27-23(35-8)14-18(30-3)15-24(27)36-9/h10-15H,1-9H3.
What are the key properties of tris(2,4,6-trimethoxyphenyl)phosphane?
tris(2,4,6-trimethoxyphenyl)phosphane has a molecular weight of 532.53 g/mol, XLogP of 3.52, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,4,6-trimethoxyphenyl)phosphane is sourced from PubChem (CID 522987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).