2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate

C20H35OP2- — CID 101358927

IUPAC2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate
SMILESCC(C)P(Cc1cccc(CP(C(C)C)C(C)C)c1[O-])C(C)C
InChIInChI=1S/C20H36OP2/c1-14(2)22(15(3)4)12-18-10-9-11-19(20(18)21)13-23(16(5)6)17(7)8/h9-11,14-17,21H,12-13H2,1-8H3/p-1
InChIKeyFNIDPBOFTFFSSP-UHFFFAOYSA-M
MW353.45 g/mol
LogP6.36
Rot. Bonds8

About 2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate

2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate (PubChem CID 101358927) has the molecular formula C20H35OP2- and a molecular weight of 353.45 g/mol. Its IUPAC name is 2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate.

Molecular Properties

Compound Name2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate
PubChem CID101358927
Molecular FormulaC20H35OP2-
Molecular Weight353.45 g/mol
Exact Mass353.22
IUPAC Name2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate
SMILESCC(C)P(Cc1cccc(CP(C(C)C)C(C)C)c1[O-])C(C)C
InChIInChI=1S/C20H36OP2/c1-14(2)22(15(3)4)12-18-10-9-11-19(20(18)21)13-23(16(5)6)17(7)8/h9-11,14-17,21H,12-13H2,1-8H3/p-1
InChIKeyFNIDPBOFTFFSSP-UHFFFAOYSA-M
XLogP6.36
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-[di(propan-2-yl)phosphanylmethyl]-2-methoxyphenyl]methyl-di(propan-2-yl)phosphane
CID 101358929
4,5-bis(bromomethyl)acridine;(5-ethylacridin-4-yl)methyl-di(propan-2-yl)phosphane
CID 163675366
ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane
CID 102310635
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2-chloro-3-methylphenyl)propan-2-ol
CID 117279944
2-(oxidomethyl)phenolate;bis(propan-2-olate);titanium(4+)
CID 101472538
calcium 2-nonyl-6-[(3-nonyl-2-oxidophenyl)methyl]phenolate
CID 101275854
calcium 2-[(2-oxido-3-tridecylphenyl)methyl]-6-tridecylphenolate
CID 101275881
sodium 2-(2-aminopropyl)-6-nitrophenolate
CID 170864462
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
CID 162921751
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol;bis(propan-2-ol);titanium
CID 134902928

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate?
The IUPAC name of 2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate (CID 101358927) is 2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate.
What is the SMILES notation for 2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate?
The canonical SMILES for 2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate is CC(C)P(Cc1cccc(CP(C(C)C)C(C)C)c1[O-])C(C)C.
What is the InChIKey of 2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate?
The InChIKey is FNIDPBOFTFFSSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H36OP2/c1-14(2)22(15(3)4)12-18-10-9-11-19(20(18)21)13-23(16(5)6)17(7)8/h9-11,14-17,21H,12-13H2,1-8H3/p-1.
What are the key properties of 2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate?
2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate has a molecular weight of 353.45 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[di(propan-2-yl)phosphanylmethyl]phenolate is sourced from PubChem (CID 101358927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).