2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol

C29H30O4P2 — CID 12057041

IUPAC2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol
SMILESCOc1ccccc1P(CCP(c1ccccc1OC)c1ccccc1OC)c1ccccc1O
InChIInChI=1S/C29H30O4P2/c1-31-23-13-5-9-17-27(23)34(26-16-8-4-12-22(26)30)20-21-35(28-18-10-6-14-24(28)32-2)29-19-11-7-15-25(29)33-3/h4-19,30H,20-21H2,1-3H3
InChIKeyRFGFVIXKBLAQNT-UHFFFAOYSA-N
MW504.50 g/mol
LogP4.98
Rot. Bonds10

About 2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol

2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol (PubChem CID 12057041) has the molecular formula C29H30O4P2 and a molecular weight of 504.50 g/mol. Its IUPAC name is 2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol.

Molecular Properties

Compound Name2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol
PubChem CID12057041
Molecular FormulaC29H30O4P2
Molecular Weight504.50 g/mol
Exact Mass504.16
IUPAC Name2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol
SMILESCOc1ccccc1P(CCP(c1ccccc1OC)c1ccccc1OC)c1ccccc1O
InChIInChI=1S/C29H30O4P2/c1-31-23-13-5-9-17-27(23)34(26-16-8-4-12-22(26)30)20-21-35(28-18-10-6-14-24(28)32-2)29-19-11-7-15-25(29)33-3/h4-19,30H,20-21H2,1-3H3
InChIKeyRFGFVIXKBLAQNT-UHFFFAOYSA-N
XLogP4.98
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol?
The IUPAC name of 2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol (CID 12057041) is 2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol.
What is the SMILES notation for 2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol?
The canonical SMILES for 2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol is COc1ccccc1P(CCP(c1ccccc1OC)c1ccccc1OC)c1ccccc1O.
What is the InChIKey of 2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol?
The InChIKey is RFGFVIXKBLAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O4P2/c1-31-23-13-5-9-17-27(23)34(26-16-8-4-12-22(26)30)20-21-35(28-18-10-6-14-24(28)32-2)29-19-11-7-15-25(29)33-3/h4-19,30H,20-21H2,1-3H3.
What are the key properties of 2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol?
2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol has a molecular weight of 504.50 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol is sourced from PubChem (CID 12057041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).