bis(1,3-diphenylpropane-1,3-diol);nickel

C30H32NiO4 — CID 5232029

IUPACbis(1,3-diphenylpropane-1,3-diol);nickel
SMILESOC(CC(O)c1ccccc1)c1ccccc1.OC(CC(O)c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/2C15H16O2.Ni/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*1-10,14-17H,11H2;
InChIKeyGWQCPOFBZLZBCD-UHFFFAOYSA-N
MW515.28 g/mol
LogP5.68
Rot. Bonds8

About bis(1,3-diphenylpropane-1,3-diol);nickel

bis(1,3-diphenylpropane-1,3-diol);nickel (PubChem CID 5232029) has the molecular formula C30H32NiO4 and a molecular weight of 515.28 g/mol. Its IUPAC name is bis(1,3-diphenylpropane-1,3-diol);nickel.

Molecular Properties

Compound Namebis(1,3-diphenylpropane-1,3-diol);nickel
PubChem CID5232029
Molecular FormulaC30H32NiO4
Molecular Weight515.28 g/mol
Exact Mass514.17
IUPAC Namebis(1,3-diphenylpropane-1,3-diol);nickel
SMILESOC(CC(O)c1ccccc1)c1ccccc1.OC(CC(O)c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/2C15H16O2.Ni/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*1-10,14-17H,11H2;
InChIKeyGWQCPOFBZLZBCD-UHFFFAOYSA-N
XLogP5.68
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.28
LogP ≤ 55.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
(2R,4R)-4-phenylbutane-1,2,4-triol
CID 14940547
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
4,4-dimethyl-1-phenylpentane-1,3-diol
CID 14869149
(1R)-1,2-diphenylethanol
CID 1379022
1-phenyl-2-phosphanylethanol
CID 572080
(1S)-2-chloro-1-phenylethanol
CID 643323
2-amino-4-hydroxy-4-phenylbutanoic acid
CID 11997564
1-phenyl-3,3-bis(phenylsulfanyl)propan-1-ol
CID 11291133
4-methyl-1-phenylpent-4-ene-1,3-diol
CID 13461017
(1R)-1,3-diphenylpropan-1-ol
CID 11845542

Frequently Asked Questions

What is the IUPAC name of bis(1,3-diphenylpropane-1,3-diol);nickel?
The IUPAC name of bis(1,3-diphenylpropane-1,3-diol);nickel (CID 5232029) is bis(1,3-diphenylpropane-1,3-diol);nickel.
What is the SMILES notation for bis(1,3-diphenylpropane-1,3-diol);nickel?
The canonical SMILES for bis(1,3-diphenylpropane-1,3-diol);nickel is OC(CC(O)c1ccccc1)c1ccccc1.OC(CC(O)c1ccccc1)c1ccccc1.[Ni].
What is the InChIKey of bis(1,3-diphenylpropane-1,3-diol);nickel?
The InChIKey is GWQCPOFBZLZBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16O2.Ni/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*1-10,14-17H,11H2;.
What are the key properties of bis(1,3-diphenylpropane-1,3-diol);nickel?
bis(1,3-diphenylpropane-1,3-diol);nickel has a molecular weight of 515.28 g/mol, XLogP of 5.68, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-diphenylpropane-1,3-diol);nickel is sourced from PubChem (CID 5232029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).