2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate

C24H26O2P- — CID 102133332

IUPAC2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate
SMILESCC(C)(c1ccccc1)c1cc(PO)c([O-])c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C24H27O2P/c1-23(2,17-11-7-5-8-12-17)19-15-20(22(25)21(16-19)27-26)24(3,4)18-13-9-6-10-14-18/h5-16,25-27H,1-4H3/p-1
InChIKeyHBQSTGXQDOXCKJ-UHFFFAOYSA-M
MW377.44 g/mol
LogP4.62
Rot. Bonds5

About 2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate

2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate (PubChem CID 102133332) has the molecular formula C24H26O2P- and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate.

Molecular Properties

Compound Name2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate
PubChem CID102133332
Molecular FormulaC24H26O2P-
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate
SMILESCC(C)(c1ccccc1)c1cc(PO)c([O-])c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C24H27O2P/c1-23(2,17-11-7-5-8-12-17)19-15-20(22(25)21(16-19)27-26)24(3,4)18-13-9-6-10-14-18/h5-16,25-27H,1-4H3/p-1
InChIKeyHBQSTGXQDOXCKJ-UHFFFAOYSA-M
XLogP4.62
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(2,4-bis(2-phenylpropan-2-yl)phenolate);titanium(4+)
CID 22395010
2-phenylpropan-2-ylbenzene
CID 13065
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol
CID 71427223
2,4-bis(2-phenylpropan-2-yl)-6-(sulfanylmethyl)phenol
CID 89410298
2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid;zinc;hydrate
CID 67943288
3,5-bis(2-phenylpropan-2-yl)aniline
CID 142144538
bis(2-tert-butyl-4-(2-phenylpropan-2-yl)phenolate);hexakis(propan-2-olate);bis(titanium(4+))
CID 139164044
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium
CID 175105136
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate?
The IUPAC name of 2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate (CID 102133332) is 2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate.
What is the SMILES notation for 2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate?
The canonical SMILES for 2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate is CC(C)(c1ccccc1)c1cc(PO)c([O-])c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate?
The InChIKey is HBQSTGXQDOXCKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H27O2P/c1-23(2,17-11-7-5-8-12-17)19-15-20(22(25)21(16-19)27-26)24(3,4)18-13-9-6-10-14-18/h5-16,25-27H,1-4H3/p-1.
What are the key properties of 2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate?
2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate has a molecular weight of 377.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate is sourced from PubChem (CID 102133332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).