copper 4-propan-2-ylbenzoic acid

C10H12CuO2+2 — CID 54605006

IUPACcopper 4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)cc1.[Cu+2]
InChIInChI=1S/C10H12O2.Cu/c1-7(2)8-3-5-9(6-4-8)10(11)12;/h3-7H,1-2H3,(H,11,12);/q;+2
InChIKeyNAEBIAZQIBENQF-UHFFFAOYSA-N
MW227.75 g/mol
LogP2.51
Rot. Bonds2

About copper 4-propan-2-ylbenzoic acid

copper 4-propan-2-ylbenzoic acid (PubChem CID 54605006) has the molecular formula C10H12CuO2+2 and a molecular weight of 227.75 g/mol. Its IUPAC name is copper 4-propan-2-ylbenzoic acid.

Molecular Properties

Compound Namecopper 4-propan-2-ylbenzoic acid
PubChem CID54605006
Molecular FormulaC10H12CuO2+2
Molecular Weight227.75 g/mol
Exact Mass227.01
IUPAC Namecopper 4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)cc1.[Cu+2]
InChIInChI=1S/C10H12O2.Cu/c1-7(2)8-3-5-9(6-4-8)10(11)12;/h3-7H,1-2H3,(H,11,12);/q;+2
InChIKeyNAEBIAZQIBENQF-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze copper 4-propan-2-ylbenzoic acid 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

4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzoic acid
CID 139957756
pentane-2,4-diol;bis(4-propan-2-ylbenzoic acid)
CID 66727844
ethane-1,1-diol;terephthalic acid
CID 68971815
4-[4-(4-carboxyphenyl)-3-oxopentan-2-yl]benzoic acid
CID 67705641
cyclohexanamine;4-propan-2-ylbenzoic acid
CID 173455023
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
4-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276325
terephthalic acid
CID 160582437
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691

Frequently Asked Questions

What is the IUPAC name of copper 4-propan-2-ylbenzoic acid?
The IUPAC name of copper 4-propan-2-ylbenzoic acid (CID 54605006) is copper 4-propan-2-ylbenzoic acid.
What is the SMILES notation for copper 4-propan-2-ylbenzoic acid?
The canonical SMILES for copper 4-propan-2-ylbenzoic acid is CC(C)c1ccc(C(=O)O)cc1.[Cu+2].
What is the InChIKey of copper 4-propan-2-ylbenzoic acid?
The InChIKey is NAEBIAZQIBENQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.Cu/c1-7(2)8-3-5-9(6-4-8)10(11)12;/h3-7H,1-2H3,(H,11,12);/q;+2.
What are the key properties of copper 4-propan-2-ylbenzoic acid?
copper 4-propan-2-ylbenzoic acid has a molecular weight of 227.75 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper 4-propan-2-ylbenzoic acid is sourced from PubChem (CID 54605006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).