2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury

C26H21HgO6 — CID 174770539

IUPAC2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury
SMILESO=C(O)c1ccccc1O.O=C(Oc1ccccc1)c1ccccc1O.[Hg]c1ccccc1
InChIInChI=1S/C13H10O3.C7H6O3.C6H5.Hg/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;/h1-9,14H;1-4,8H,(H,9,10);1-5H;
InChIKeyNURNXYITVRVKQZ-UHFFFAOYSA-N
MW630.04 g/mol
LogP4.56
Rot. Bonds3

About 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury

2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury (PubChem CID 174770539) has the molecular formula C26H21HgO6 and a molecular weight of 630.04 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury.

Molecular Properties

Compound Name2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury
PubChem CID174770539
Molecular FormulaC26H21HgO6
Molecular Weight630.04 g/mol
Exact Mass631.10
IUPAC Name2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury
SMILESO=C(O)c1ccccc1O.O=C(Oc1ccccc1)c1ccccc1O.[Hg]c1ccccc1
InChIInChI=1S/C13H10O3.C7H6O3.C6H5.Hg/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;/h1-9,14H;1-4,8H,(H,9,10);1-5H;
InChIKeyNURNXYITVRVKQZ-UHFFFAOYSA-N
XLogP4.56
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.04
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
formaldehyde;phenyl 2-hydroxybenzoate
CID 70193884
(4-phenylphenyl) 2-hydroxybenzoate
CID 19871808
phenyl 8-hydroxynaphthalene-1-carboxylate
CID 67908081
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
2-phenoxycarbonylbenzoic acid;phosphoric acid
CID 70523982
carbonic acid;methyl 2-hydroxybenzoate;phenyl hydrogen carbonate
CID 159882393
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury?
The IUPAC name of 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury (CID 174770539) is 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury.
What is the SMILES notation for 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury?
The canonical SMILES for 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury is O=C(O)c1ccccc1O.O=C(Oc1ccccc1)c1ccccc1O.[Hg]c1ccccc1.
What is the InChIKey of 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury?
The InChIKey is NURNXYITVRVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3.C7H6O3.C6H5.Hg/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10;8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;/h1-9,14H;1-4,8H,(H,9,10);1-5H;.
What are the key properties of 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury?
2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury has a molecular weight of 630.04 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury is sourced from PubChem (CID 174770539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).