1,1'-biphenyl;oxaldehydic acid

C14H12O3 — CID 23024065

IUPAC1,1'-biphenyl;oxaldehydic acid
SMILESO=CC(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H2O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-2(4)5/h1-10H;1H,(H,4,5)
InChIKeyVPFNVIPMUXOCRJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.62
Rot. Bonds2

About 1,1'-biphenyl;oxaldehydic acid

1,1'-biphenyl;oxaldehydic acid (PubChem CID 23024065) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1,1'-biphenyl;oxaldehydic acid.

Molecular Properties

Compound Name1,1'-biphenyl;oxaldehydic acid
PubChem CID23024065
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name1,1'-biphenyl;oxaldehydic acid
SMILESO=CC(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H2O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-2(4)5/h1-10H;1H,(H,4,5)
InChIKeyVPFNVIPMUXOCRJ-UHFFFAOYSA-N
XLogP2.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;methanethioic S-acid
CID 157330643
bis(1,1'-biphenyl);carbonate
CID 23514328
benzene;tris(1,1'-biphenyl)
CID 162155747
acetic acid;1,1'-biphenyl;zinc
CID 70522083
acetic acid;1,1'-biphenyl;ethane
CID 91464981
1-benzofuran;oxaldehydic acid
CID 20511979
1,1'-biphenyl;2-hydroxyprop-2-enoic acid
CID 175089915
CID 53446764
CID 53446764
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
benzene;bis(1,1'-biphenyl);methane
CID 158742993

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;oxaldehydic acid?
The IUPAC name of 1,1'-biphenyl;oxaldehydic acid (CID 23024065) is 1,1'-biphenyl;oxaldehydic acid.
What is the SMILES notation for 1,1'-biphenyl;oxaldehydic acid?
The canonical SMILES for 1,1'-biphenyl;oxaldehydic acid is O=CC(=O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;oxaldehydic acid?
The InChIKey is VPFNVIPMUXOCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2H2O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-2(4)5/h1-10H;1H,(H,4,5).
What are the key properties of 1,1'-biphenyl;oxaldehydic acid?
1,1'-biphenyl;oxaldehydic acid has a molecular weight of 228.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;oxaldehydic acid is sourced from PubChem (CID 23024065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).