bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane

C59H70O6P2 — CID 142850693

IUPACbis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane
SMILESCc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(OPOc2ccccc2C(OPOc2cc(C)ccc2C(C)C)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C39H42O4P2.2C10H14O/c1-27(2)33-23-21-29(5)25-37(33)41-44-40-36-20-14-13-19-35(36)39(31-15-9-7-10-16-31,32-17-11-8-12-18-32)43-45-42-38-26-30(6)22-24-34(38)28(3)4;2*1-7(2)9-5-4-8(3)6-10(9)11/h7-28,44-45H,1-6H3;2*4-7,11H,1-3H3
InChIKeyDNZMEPFFVZADEQ-UHFFFAOYSA-N
MW937.15 g/mol
LogP17.06
Rot. Bonds15

About bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane

bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane (PubChem CID 142850693) has the molecular formula C59H70O6P2 and a molecular weight of 937.15 g/mol. Its IUPAC name is bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane.

Molecular Properties

Compound Namebis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane
PubChem CID142850693
Molecular FormulaC59H70O6P2
Molecular Weight937.15 g/mol
Exact Mass936.46
IUPAC Namebis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane
SMILESCc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(OPOc2ccccc2C(OPOc2cc(C)ccc2C(C)C)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C39H42O4P2.2C10H14O/c1-27(2)33-23-21-29(5)25-37(33)41-44-40-36-20-14-13-19-35(36)39(31-15-9-7-10-16-31,32-17-11-8-12-18-32)43-45-42-38-26-30(6)22-24-34(38)28(3)4;2*1-7(2)9-5-4-8(3)6-10(9)11/h7-28,44-45H,1-6H3;2*4-7,11H,1-3H3
InChIKeyDNZMEPFFVZADEQ-UHFFFAOYSA-N
XLogP17.06
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.15
LogP ≤ 517.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
5-methyl-2-propan-2-ylphenol;phosphoric acid
CID 67743419
5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol
CID 60988135
2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol
CID 43202107
5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol
CID 70978775
2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol
CID 82978084
4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977
3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63943066
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241

Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane?
The IUPAC name of bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane (CID 142850693) is bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane.
What is the SMILES notation for bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane?
The canonical SMILES for bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane is Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(OPOc2ccccc2C(OPOc2cc(C)ccc2C(C)C)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane?
The InChIKey is DNZMEPFFVZADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42O4P2.2C10H14O/c1-27(2)33-23-21-29(5)25-37(33)41-44-40-36-20-14-13-19-35(36)39(31-15-9-7-10-16-31,32-17-11-8-12-18-32)43-45-42-38-26-30(6)22-24-34(38)28(3)4;2*1-7(2)9-5-4-8(3)6-10(9)11/h7-28,44-45H,1-6H3;2*4-7,11H,1-3H3.
What are the key properties of bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane?
bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane has a molecular weight of 937.15 g/mol, XLogP of 17.06, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-2-propan-2-ylphenol);(5-methyl-2-propan-2-ylphenoxy)-[2-[(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-diphenylmethyl]phenoxy]phosphane is sourced from PubChem (CID 142850693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).