2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc

C14H12O3Zn — CID 58652419

IUPAC2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc
SMILESCc1cc(C(=O)O)c(O)c(-c2ccccc2)c1.[Zn]
InChIInChI=1S/C14H12O3.Zn/c1-9-7-11(10-5-3-2-4-6-10)13(15)12(8-9)14(16)17;/h2-8,15H,1H3,(H,16,17);
InChIKeySXPMJTXTNMUTHU-UHFFFAOYSA-N
MW293.64 g/mol
LogP3.06
Rot. Bonds2

About 2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc

2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc (PubChem CID 58652419) has the molecular formula C14H12O3Zn and a molecular weight of 293.64 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc.

Molecular Properties

Compound Name2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc
PubChem CID58652419
Molecular FormulaC14H12O3Zn
Molecular Weight293.64 g/mol
Exact Mass292.01
IUPAC Name2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc
SMILESCc1cc(C(=O)O)c(O)c(-c2ccccc2)c1.[Zn]
InChIInChI=1S/C14H12O3.Zn/c1-9-7-11(10-5-3-2-4-6-10)13(15)12(8-9)14(16)17;/h2-8,15H,1H3,(H,16,17);
InChIKeySXPMJTXTNMUTHU-UHFFFAOYSA-N
XLogP3.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.64
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-hydroxy-5-methyl-3-phenylbenzoate
CID 59014793
2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 166324508
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2-hydroxy-5-methyl-3-(3-oxo-3-phenylpropanoyl)benzoic acid
CID 102378890
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
5-methyl-1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 143163234
2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid
CID 19788415
2-chloro-4-methyl-6-phenylbenzoic acid
CID 90976650
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756
2-hydroxy-5-methyl-3-(phenylsulfanylmethyl)benzoic acid
CID 10039011
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc?
The IUPAC name of 2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc (CID 58652419) is 2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc.
What is the SMILES notation for 2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc?
The canonical SMILES for 2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc is Cc1cc(C(=O)O)c(O)c(-c2ccccc2)c1.[Zn].
What is the InChIKey of 2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc?
The InChIKey is SXPMJTXTNMUTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.Zn/c1-9-7-11(10-5-3-2-4-6-10)13(15)12(8-9)14(16)17;/h2-8,15H,1H3,(H,16,17);.
What are the key properties of 2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc?
2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc has a molecular weight of 293.64 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc is sourced from PubChem (CID 58652419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).