dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol

C19H28O6P2 — CID 158181134

IUPACdihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)(c1ccccc1C)C(C)(C)C.OP(O)OP(O)O
InChIInChI=1S/C19H24O.H4O5P2/c1-14-10-6-8-12-16(14)19(20,18(3,4)5)17-13-9-7-11-15(17)2;1-6(2)5-7(3)4/h6-13,20H,1-5H3;1-4H
InChIKeyFYPLUTJRJXMBOZ-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.01
Rot. Bonds4

About dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol

dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol (PubChem CID 158181134) has the molecular formula C19H28O6P2 and a molecular weight of 414.38 g/mol. Its IUPAC name is dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Namedihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol
PubChem CID158181134
Molecular FormulaC19H28O6P2
Molecular Weight414.38 g/mol
Exact Mass414.14
IUPAC Namedihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)(c1ccccc1C)C(C)(C)C.OP(O)OP(O)O
InChIInChI=1S/C19H24O.H4O5P2/c1-14-10-6-8-12-16(14)19(20,18(3,4)5)17-13-9-7-11-15(17)2;1-6(2)5-7(3)4/h6-13,20H,1-5H3;1-4H
InChIKeyFYPLUTJRJXMBOZ-UHFFFAOYSA-N
XLogP4.01
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67863752
1-[1-ethoxy-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67864270
(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite
CID 154036014
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
3-(2-methylphenyl)penta-1,4-diyn-3-ol
CID 121007327
2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol
CID 162511614
1-(2,6-ditert-butyl-4-methylphenyl)-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite
CID 158991670
5-methoxy-5-methyl-2-(2-methylphenyl)hexan-2-ol
CID 103035054
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene
CID 122489122
4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol
CID 79127709
2-(2-methylphenoxy)propan-2-ol
CID 21192257

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol?
The IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol (CID 158181134) is dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol.
What is the SMILES notation for dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol?
The canonical SMILES for dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)(c1ccccc1C)C(C)(C)C.OP(O)OP(O)O.
What is the InChIKey of dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol?
The InChIKey is FYPLUTJRJXMBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O.H4O5P2/c1-14-10-6-8-12-16(14)19(20,18(3,4)5)17-13-9-7-11-15(17)2;1-6(2)5-7(3)4/h6-13,20H,1-5H3;1-4H.
What are the key properties of dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol?
dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol has a molecular weight of 414.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl dihydrogen phosphite;2,2-dimethyl-1,1-bis(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 158181134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).