4-tert-butylbenzoic acid;copper

C11H14CuO2 — CID 67780260

IUPAC4-tert-butylbenzoic acid;copper
SMILESCC(C)(C)c1ccc(C(=O)O)cc1.[Cu]
InChIInChI=1S/C11H14O2.Cu/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);
InChIKeyHUUSWPFDRAYOJZ-UHFFFAOYSA-N
MW241.78 g/mol
LogP2.68
Rot. Bonds1

About 4-tert-butylbenzoic acid;copper

4-tert-butylbenzoic acid;copper (PubChem CID 67780260) has the molecular formula C11H14CuO2 and a molecular weight of 241.78 g/mol. Its IUPAC name is 4-tert-butylbenzoic acid;copper.

Molecular Properties

Compound Name4-tert-butylbenzoic acid;copper
PubChem CID67780260
Molecular FormulaC11H14CuO2
Molecular Weight241.78 g/mol
Exact Mass241.03
IUPAC Name4-tert-butylbenzoic acid;copper
SMILESCC(C)(C)c1ccc(C(=O)O)cc1.[Cu]
InChIInChI=1S/C11H14O2.Cu/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);
InChIKeyHUUSWPFDRAYOJZ-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
CID 175176965
CID 175176965
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CID 139147300
4-[5-(4-tert-butylphenyl)-1H-pyrrol-2-yl]benzoic acid
CID 170555585
terephthalic acid
CID 160582437
4-(1-amino-1-hydroxyethyl)benzoic acid
CID 118177730
(4-tert-butylbenzoyl)-methanidylazanium
CID 58832491
4-[4-[2-[4-(4-carboxyphenyl)phenyl]propan-2-yl]phenyl]benzoic acid
CID 158031845
acetic acid;terephthalic acid
CID 158530154
lithium;copper;hydride;terephthalic acid
CID 175298386
2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione
CID 15471929

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzoic acid;copper?
The IUPAC name of 4-tert-butylbenzoic acid;copper (CID 67780260) is 4-tert-butylbenzoic acid;copper.
What is the SMILES notation for 4-tert-butylbenzoic acid;copper?
The canonical SMILES for 4-tert-butylbenzoic acid;copper is CC(C)(C)c1ccc(C(=O)O)cc1.[Cu].
What is the InChIKey of 4-tert-butylbenzoic acid;copper?
The InChIKey is HUUSWPFDRAYOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.Cu/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);.
What are the key properties of 4-tert-butylbenzoic acid;copper?
4-tert-butylbenzoic acid;copper has a molecular weight of 241.78 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzoic acid;copper is sourced from PubChem (CID 67780260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).