3-benzhydryl-2-hydroxybenzoic acid;zinc

C20H16O3Zn — CID 70592549

IUPAC3-benzhydryl-2-hydroxybenzoic acid;zinc
SMILESO=C(O)c1cccc(C(c2ccccc2)c2ccccc2)c1O.[Zn]
InChIInChI=1S/C20H16O3.Zn/c21-19-16(12-7-13-17(19)20(22)23)18(14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-13,18,21H,(H,22,23);
InChIKeyOHFJINFNWXJEIR-UHFFFAOYSA-N
MW369.74 g/mol
LogP4.27
Rot. Bonds4

About 3-benzhydryl-2-hydroxybenzoic acid;zinc

3-benzhydryl-2-hydroxybenzoic acid;zinc (PubChem CID 70592549) has the molecular formula C20H16O3Zn and a molecular weight of 369.74 g/mol. Its IUPAC name is 3-benzhydryl-2-hydroxybenzoic acid;zinc.

Molecular Properties

Compound Name3-benzhydryl-2-hydroxybenzoic acid;zinc
PubChem CID70592549
Molecular FormulaC20H16O3Zn
Molecular Weight369.74 g/mol
Exact Mass368.04
IUPAC Name3-benzhydryl-2-hydroxybenzoic acid;zinc
SMILESO=C(O)c1cccc(C(c2ccccc2)c2ccccc2)c1O.[Zn]
InChIInChI=1S/C20H16O3.Zn/c21-19-16(12-7-13-17(19)20(22)23)18(14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-13,18,21H,(H,22,23);
InChIKeyOHFJINFNWXJEIR-UHFFFAOYSA-N
XLogP4.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.74
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 19033709
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2-benzhydryl-6-methylphenol
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2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
CID 67582989
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione
CID 159953362
3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid
CID 70184643
3-[bis(4-propan-2-ylphenyl)methyl]-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 139751316
2-[iodo(phenyl)methyl]benzoic acid
CID 70463715
2-[(S)-bromo(phenyl)methyl]benzoic acid
CID 99639138
(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone
CID 139643041
2-(2-carboxy-1-phenylethyl)benzoic acid
CID 67733190

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-2-hydroxybenzoic acid;zinc?
The IUPAC name of 3-benzhydryl-2-hydroxybenzoic acid;zinc (CID 70592549) is 3-benzhydryl-2-hydroxybenzoic acid;zinc.
What is the SMILES notation for 3-benzhydryl-2-hydroxybenzoic acid;zinc?
The canonical SMILES for 3-benzhydryl-2-hydroxybenzoic acid;zinc is O=C(O)c1cccc(C(c2ccccc2)c2ccccc2)c1O.[Zn].
What is the InChIKey of 3-benzhydryl-2-hydroxybenzoic acid;zinc?
The InChIKey is OHFJINFNWXJEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3.Zn/c21-19-16(12-7-13-17(19)20(22)23)18(14-8-3-1-4-9-14)15-10-5-2-6-11-15;/h1-13,18,21H,(H,22,23);.
What are the key properties of 3-benzhydryl-2-hydroxybenzoic acid;zinc?
3-benzhydryl-2-hydroxybenzoic acid;zinc has a molecular weight of 369.74 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-2-hydroxybenzoic acid;zinc is sourced from PubChem (CID 70592549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).