bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol

C33H44O6P2+2 — CID 175697698

IUPACbis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol
SMILESCC(C)CC(O)C(C)C(C)O.O[P+](O)(c1ccccc1)c1ccccc1.O[P+](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H12O2P.C9H20O2/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2)5-9(11)7(3)8(4)10/h2*1-10,13-14H;6-11H,5H2,1-4H3/q2*+1;
InChIKeyBFPDYYLQDOHLPC-UHFFFAOYSA-N
MW598.66 g/mol
LogP4.35
Rot. Bonds8

About bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol

bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol (PubChem CID 175697698) has the molecular formula C33H44O6P2+2 and a molecular weight of 598.66 g/mol. Its IUPAC name is bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol.

Molecular Properties

Compound Namebis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol
PubChem CID175697698
Molecular FormulaC33H44O6P2+2
Molecular Weight598.66 g/mol
Exact Mass598.26
IUPAC Namebis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol
SMILESCC(C)CC(O)C(C)C(C)O.O[P+](O)(c1ccccc1)c1ccccc1.O[P+](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H12O2P.C9H20O2/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2)5-9(11)7(3)8(4)10/h2*1-10,13-14H;6-11H,5H2,1-4H3/q2*+1;
InChIKeyBFPDYYLQDOHLPC-UHFFFAOYSA-N
XLogP4.35
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.66
LogP ≤ 54.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(dihydroxy(diphenyl)phosphanium);2-methyl-1-phenylbutane-1,3-diol
CID 175697652
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
1-amino-4-methyl-1-phenoxypentan-2-ol
CID 20505639
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
(2S,3R,4S)-2-amino-6-methyl-1-phenylheptane-3,4-diol
CID 10585964
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
bis(dihydroxy(diphenyl)phosphanium);2,5-dimethylhex-3-yne-2,5-diol
CID 175697648
benzoic acid;3-methylheptane-2,4-diol
CID 174643934
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
(1R,2R)-4-methyl-1,2-diphenylpentan-1-ol
CID 6976778

Frequently Asked Questions

What is the IUPAC name of bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol?
The IUPAC name of bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol (CID 175697698) is bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol.
What is the SMILES notation for bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol?
The canonical SMILES for bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol is CC(C)CC(O)C(C)C(C)O.O[P+](O)(c1ccccc1)c1ccccc1.O[P+](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol?
The InChIKey is BFPDYYLQDOHLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12O2P.C9H20O2/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2)5-9(11)7(3)8(4)10/h2*1-10,13-14H;6-11H,5H2,1-4H3/q2*+1;.
What are the key properties of bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol?
bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol has a molecular weight of 598.66 g/mol, XLogP of 4.35, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxy(diphenyl)phosphanium);3,6-dimethylheptane-2,4-diol is sourced from PubChem (CID 175697698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).