hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane

C45H50O6P2 — CID 174541027

IUPAChydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
SMILESCc1ccccc1OP(O)(OCCCOP(O)(Oc1ccccc1C)(c1ccccc1C)c1ccccc1C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C45H50O6P2/c1-34-20-7-13-26-40(34)50-52(46,42-28-15-9-22-36(42)3,43-29-16-10-23-37(43)4)48-32-19-33-49-53(47,44-30-17-11-24-38(44)5,45-31-18-12-25-39(45)6)51-41-27-14-8-21-35(41)2/h7-18,20-31,46-47H,19,32-33H2,1-6H3
InChIKeyOYMKZAKKMMTQGA-UHFFFAOYSA-N
MW748.84 g/mol
LogP9.30
Rot. Bonds14

About hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane

hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane (PubChem CID 174541027) has the molecular formula C45H50O6P2 and a molecular weight of 748.84 g/mol. Its IUPAC name is hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
PubChem CID174541027
Molecular FormulaC45H50O6P2
Molecular Weight748.84 g/mol
Exact Mass748.31
IUPAC Namehydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
SMILESCc1ccccc1OP(O)(OCCCOP(O)(Oc1ccccc1C)(c1ccccc1C)c1ccccc1C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C45H50O6P2/c1-34-20-7-13-26-40(34)50-52(46,42-28-15-9-22-36(42)3,43-29-16-10-23-37(43)4)48-32-19-33-49-53(47,44-30-17-11-24-38(44)5,45-31-18-12-25-39(45)6)51-41-27-14-8-21-35(41)2/h7-18,20-31,46-47H,19,32-33H2,1-6H3
InChIKeyOYMKZAKKMMTQGA-UHFFFAOYSA-N
XLogP9.30
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.84
LogP ≤ 59.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane?
The IUPAC name of hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane (CID 174541027) is hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane.
What is the SMILES notation for hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane?
The canonical SMILES for hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane is Cc1ccccc1OP(O)(OCCCOP(O)(Oc1ccccc1C)(c1ccccc1C)c1ccccc1C)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane?
The InChIKey is OYMKZAKKMMTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50O6P2/c1-34-20-7-13-26-40(34)50-52(46,42-28-15-9-22-36(42)3,43-29-16-10-23-37(43)4)48-32-19-33-49-53(47,44-30-17-11-24-38(44)5,45-31-18-12-25-39(45)6)51-41-27-14-8-21-35(41)2/h7-18,20-31,46-47H,19,32-33H2,1-6H3.
What are the key properties of hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane?
hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane has a molecular weight of 748.84 g/mol, XLogP of 9.30, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane is sourced from PubChem (CID 174541027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).