3-formyloxycarbonyl-2-phenylbenzoic acid

C15H10O5 — CID 174867155

IUPAC3-formyloxycarbonyl-2-phenylbenzoic acid
SMILESO=COC(=O)c1cccc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C15H10O5/c16-9-20-15(19)12-8-4-7-11(14(17)18)13(12)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKeyIOAQSFHTLOATHX-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.37
Rot. Bonds4

About 3-formyloxycarbonyl-2-phenylbenzoic acid

3-formyloxycarbonyl-2-phenylbenzoic acid (PubChem CID 174867155) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-formyloxycarbonyl-2-phenylbenzoic acid.

Molecular Properties

Compound Name3-formyloxycarbonyl-2-phenylbenzoic acid
PubChem CID174867155
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name3-formyloxycarbonyl-2-phenylbenzoic acid
SMILESO=COC(=O)c1cccc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C15H10O5/c16-9-20-15(19)12-8-4-7-11(14(17)18)13(12)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKeyIOAQSFHTLOATHX-UHFFFAOYSA-N
XLogP2.37
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
2-(3-formyl-2-phenylbenzoyl)benzoic acid
CID 54165069
3-ethoxycarbonyl-2-(4-fluorophenyl)benzoic acid
CID 169449758
formic acid;phthalic acid
CID 159829564
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
ethenol;2-ethenoxycarbonylbenzoic acid
CID 174432530
3-ethoxycarbonyl-2-(3-methoxyphenyl)benzoic acid
CID 169449752
2-(2-acetyloxyethenoxycarbonyl)benzoic acid
CID 174658388
3-formyl-2-(2-formylphenyl)benzoic acid
CID 87124248
3-ethoxycarbonyl-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 169449761

Frequently Asked Questions

What is the IUPAC name of 3-formyloxycarbonyl-2-phenylbenzoic acid?
The IUPAC name of 3-formyloxycarbonyl-2-phenylbenzoic acid (CID 174867155) is 3-formyloxycarbonyl-2-phenylbenzoic acid.
What is the SMILES notation for 3-formyloxycarbonyl-2-phenylbenzoic acid?
The canonical SMILES for 3-formyloxycarbonyl-2-phenylbenzoic acid is O=COC(=O)c1cccc(C(=O)O)c1-c1ccccc1.
What is the InChIKey of 3-formyloxycarbonyl-2-phenylbenzoic acid?
The InChIKey is IOAQSFHTLOATHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c16-9-20-15(19)12-8-4-7-11(14(17)18)13(12)10-5-2-1-3-6-10/h1-9H,(H,17,18).
What are the key properties of 3-formyloxycarbonyl-2-phenylbenzoic acid?
3-formyloxycarbonyl-2-phenylbenzoic acid has a molecular weight of 270.24 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyloxycarbonyl-2-phenylbenzoic acid is sourced from PubChem (CID 174867155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).