furan-2,5-dione;2-phenylacetic acid

C12H10O5 — CID 174828276

IUPACfuran-2,5-dione;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.O=C1C=CC(=O)O1
InChIInChI=1S/C8H8O2.C4H2O3/c9-8(10)6-7-4-2-1-3-5-7;5-3-1-2-4(6)7-3/h1-5H,6H2,(H,9,10);1-2H
InChIKeyTXIMSJLNPCAHAT-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.94
Rot. Bonds2

About furan-2,5-dione;2-phenylacetic acid

furan-2,5-dione;2-phenylacetic acid (PubChem CID 174828276) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is furan-2,5-dione;2-phenylacetic acid.

Molecular Properties

Compound Namefuran-2,5-dione;2-phenylacetic acid
PubChem CID174828276
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Namefuran-2,5-dione;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.O=C1C=CC(=O)O1
InChIInChI=1S/C8H8O2.C4H2O3/c9-8(10)6-7-4-2-1-3-5-7;5-3-1-2-4(6)7-3/h1-5H,6H2,(H,9,10);1-2H
InChIKeyTXIMSJLNPCAHAT-UHFFFAOYSA-N
XLogP0.94
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
tris(2-phenylacetic acid);rhodium
CID 11168112
formaldehyde;2-phenylacetic acid
CID 70638018
calcium;hydride;2-phenylacetic acid
CID 173132712
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

Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;2-phenylacetic acid?
The IUPAC name of furan-2,5-dione;2-phenylacetic acid (CID 174828276) is furan-2,5-dione;2-phenylacetic acid.
What is the SMILES notation for furan-2,5-dione;2-phenylacetic acid?
The canonical SMILES for furan-2,5-dione;2-phenylacetic acid is O=C(O)Cc1ccccc1.O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione;2-phenylacetic acid?
The InChIKey is TXIMSJLNPCAHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C4H2O3/c9-8(10)6-7-4-2-1-3-5-7;5-3-1-2-4(6)7-3/h1-5H,6H2,(H,9,10);1-2H.
What are the key properties of furan-2,5-dione;2-phenylacetic acid?
furan-2,5-dione;2-phenylacetic acid has a molecular weight of 234.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;2-phenylacetic acid is sourced from PubChem (CID 174828276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).