copper 2-phenylacetic acid

C8H8CuO2+2 — CID 54609410

IUPACcopper 2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.[Cu+2]
InChIInChI=1S/C8H8O2.Cu/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+2
InChIKeyAIWNZUMKMXEADD-UHFFFAOYSA-N
MW199.70 g/mol
LogP1.31
Rot. Bonds2

About copper 2-phenylacetic acid

copper 2-phenylacetic acid (PubChem CID 54609410) has the molecular formula C8H8CuO2+2 and a molecular weight of 199.70 g/mol. Its IUPAC name is copper 2-phenylacetic acid.

Molecular Properties

Compound Namecopper 2-phenylacetic acid
PubChem CID54609410
Molecular FormulaC8H8CuO2+2
Molecular Weight199.70 g/mol
Exact Mass198.98
IUPAC Namecopper 2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.[Cu+2]
InChIInChI=1S/C8H8O2.Cu/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+2
InChIKeyAIWNZUMKMXEADD-UHFFFAOYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
naphthalene;2-phenylacetic acid
CID 174965541
2-phenylacetic acid;propanedioic acid
CID 159349511
chloro hypochlorite;2-phenylacetic acid
CID 174297587
N-ethylethanamine;2-phenylacetic acid
CID 143630479
3-oxobutanoic acid;2-phenylacetic acid
CID 91330939
1,1-difluorocyclopropane;2-phenylacetic acid
CID 165403189
2-(2-hydroxyethylamino)ethanol;2-phenylacetic acid
CID 86076042

Frequently Asked Questions

What is the IUPAC name of copper 2-phenylacetic acid?
The IUPAC name of copper 2-phenylacetic acid (CID 54609410) is copper 2-phenylacetic acid.
What is the SMILES notation for copper 2-phenylacetic acid?
The canonical SMILES for copper 2-phenylacetic acid is O=C(O)Cc1ccccc1.[Cu+2].
What is the InChIKey of copper 2-phenylacetic acid?
The InChIKey is AIWNZUMKMXEADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.Cu/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+2.
What are the key properties of copper 2-phenylacetic acid?
copper 2-phenylacetic acid has a molecular weight of 199.70 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2-phenylacetic acid is sourced from PubChem (CID 54609410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).