naphthalen-1-ol;zinc;hydrate

C10H10O2Zn — CID 175263139

IUPACnaphthalen-1-ol;zinc;hydrate
SMILESO.Oc1cccc2ccccc12.[Zn]
InChIInChI=1S/C10H8O.H2O.Zn/c11-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7,11H;1H2;
InChIKeyBSVSNACCMRVVKY-UHFFFAOYSA-N
MW227.58 g/mol
LogP1.72
Rot. Bonds

About naphthalen-1-ol;zinc;hydrate

naphthalen-1-ol;zinc;hydrate (PubChem CID 175263139) has the molecular formula C10H10O2Zn and a molecular weight of 227.58 g/mol. Its IUPAC name is naphthalen-1-ol;zinc;hydrate.

Molecular Properties

Compound Namenaphthalen-1-ol;zinc;hydrate
PubChem CID175263139
Molecular FormulaC10H10O2Zn
Molecular Weight227.58 g/mol
Exact Mass226.00
IUPAC Namenaphthalen-1-ol;zinc;hydrate
SMILESO.Oc1cccc2ccccc12.[Zn]
InChIInChI=1S/C10H8O.H2O.Zn/c11-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7,11H;1H2;
InChIKeyBSVSNACCMRVVKY-UHFFFAOYSA-N
XLogP1.72
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.58
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
bis(naphthalen-1-ol);zirconium(2+);dichloride
CID 21243616
chloromethane;ethane;naphthalen-1-ol
CID 144848699
butane;naphthalen-1-ol
CID 142905950
bis(naphthalen-1-ol);phosphoric acid
CID 174499172
aniline;naphthalen-1-ol
CID 158910950
naphthalen-1-ol;pyridazine
CID 67795055
naphthalen-1-ol;pyridine
CID 160876082
butane;N-methylmethanamine;naphthalen-1-ol
CID 54239131
sodium;hydride;naphthalen-1-ol;phosphoric acid
CID 174705460

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ol;zinc;hydrate?
The IUPAC name of naphthalen-1-ol;zinc;hydrate (CID 175263139) is naphthalen-1-ol;zinc;hydrate.
What is the SMILES notation for naphthalen-1-ol;zinc;hydrate?
The canonical SMILES for naphthalen-1-ol;zinc;hydrate is O.Oc1cccc2ccccc12.[Zn].
What is the InChIKey of naphthalen-1-ol;zinc;hydrate?
The InChIKey is BSVSNACCMRVVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.H2O.Zn/c11-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7,11H;1H2;.
What are the key properties of naphthalen-1-ol;zinc;hydrate?
naphthalen-1-ol;zinc;hydrate has a molecular weight of 227.58 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ol;zinc;hydrate is sourced from PubChem (CID 175263139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).