nickel;4-octylphenol

C14H22NiO — CID 87833867

IUPACnickel;4-octylphenol
SMILESCCCCCCCCc1ccc(O)cc1.[Ni]
InChIInChI=1S/C14H22O.Ni/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;/h9-12,15H,2-8H2,1H3;
InChIKeyPYFRMYHRBSBUMR-UHFFFAOYSA-N
MW265.02 g/mol
LogP4.29
Rot. Bonds7

About nickel;4-octylphenol

nickel;4-octylphenol (PubChem CID 87833867) has the molecular formula C14H22NiO and a molecular weight of 265.02 g/mol. Its IUPAC name is nickel;4-octylphenol.

Molecular Properties

Compound Namenickel;4-octylphenol
PubChem CID87833867
Molecular FormulaC14H22NiO
Molecular Weight265.02 g/mol
Exact Mass264.10
IUPAC Namenickel;4-octylphenol
SMILESCCCCCCCCc1ccc(O)cc1.[Ni]
InChIInChI=1S/C14H22O.Ni/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;/h9-12,15H,2-8H2,1H3;
InChIKeyPYFRMYHRBSBUMR-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.02
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
methanolate;nickel(3+);4-octylphenol
CID 159960852
calcium;4-dodecylphenol;hydride;sulfane
CID 174796411
tris(4-nonylphenol);phosphoric acid
CID 71361187
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479
4-(4-hexylanilino)phenol
CID 101298409
benzene-1,3-diol;4-dodecylphenol
CID 159325714

Frequently Asked Questions

What is the IUPAC name of nickel;4-octylphenol?
The IUPAC name of nickel;4-octylphenol (CID 87833867) is nickel;4-octylphenol.
What is the SMILES notation for nickel;4-octylphenol?
The canonical SMILES for nickel;4-octylphenol is CCCCCCCCc1ccc(O)cc1.[Ni].
What is the InChIKey of nickel;4-octylphenol?
The InChIKey is PYFRMYHRBSBUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.Ni/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;/h9-12,15H,2-8H2,1H3;.
What are the key properties of nickel;4-octylphenol?
nickel;4-octylphenol has a molecular weight of 265.02 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;4-octylphenol is sourced from PubChem (CID 87833867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).