acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury

C15H13HgNO3 — CID 135436474

IUPACacetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury
SMILESCC(=O)[Hg]Oc1ccc(/N=C/c2ccccc2O)cc1
InChIInChI=1S/C13H11NO2.C2H3O.Hg/c15-12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)16;1-2-3;/h1-9,15-16H;1H3;/q;;+1/p-1/b14-9+;;
InChIKeyCZUUCYJEZWNRCB-CAJRCRMVSA-M
MW455.86 g/mol
LogP3.07
Rot. Bonds5

About acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury

acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury (PubChem CID 135436474) has the molecular formula C15H13HgNO3 and a molecular weight of 455.86 g/mol. Its IUPAC name is acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury.

Molecular Properties

Compound Nameacetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury
PubChem CID135436474
Molecular FormulaC15H13HgNO3
Molecular Weight455.86 g/mol
Exact Mass457.06
IUPAC Nameacetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury
SMILESCC(=O)[Hg]Oc1ccc(/N=C/c2ccccc2O)cc1
InChIInChI=1S/C13H11NO2.C2H3O.Hg/c15-12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)16;1-2-3;/h1-9,15-16H;1H3;/q;;+1/p-1/b14-9+;;
InChIKeyCZUUCYJEZWNRCB-CAJRCRMVSA-M
XLogP3.07
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.86
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 724452
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol
CID 139076652
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
CID 170941504
(NE)-N-[(2-hydroxyphenyl)methylidene]-4-[(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135473169
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306
2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 135440137
N-[(Z)-1-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethylideneamino]benzamide
CID 135577594
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
CID 3812353

Frequently Asked Questions

What is the IUPAC name of acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury?
The IUPAC name of acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury (CID 135436474) is acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury.
What is the SMILES notation for acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury?
The canonical SMILES for acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury is CC(=O)[Hg]Oc1ccc(/N=C/c2ccccc2O)cc1.
What is the InChIKey of acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury?
The InChIKey is CZUUCYJEZWNRCB-CAJRCRMVSA-M. The full InChI is InChI=1S/C13H11NO2.C2H3O.Hg/c15-12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)16;1-2-3;/h1-9,15-16H;1H3;/q;;+1/p-1/b14-9+;;.
What are the key properties of acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury?
acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury has a molecular weight of 455.86 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury is sourced from PubChem (CID 135436474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).