4-[(4-formylphenoxy)methyl]benzoic acid

C15H12O4 — CID 882936

IUPAC4-[(4-formylphenoxy)methyl]benzoic acid
SMILESO=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H12O4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2,(H,17,18)
InChIKeyZKWZTMPNUCKOTL-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.78
Rot. Bonds5

About 4-[(4-formylphenoxy)methyl]benzoic acid

4-[(4-formylphenoxy)methyl]benzoic acid (PubChem CID 882936) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-[(4-formylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-formylphenoxy)methyl]benzoic acid
PubChem CID882936
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name4-[(4-formylphenoxy)methyl]benzoic acid
SMILESO=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H12O4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2,(H,17,18)
InChIKeyZKWZTMPNUCKOTL-UHFFFAOYSA-N
XLogP2.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-formylphenoxy)methyl]benzoic acid?
The IUPAC name of 4-[(4-formylphenoxy)methyl]benzoic acid (CID 882936) is 4-[(4-formylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-[(4-formylphenoxy)methyl]benzoic acid?
The canonical SMILES for 4-[(4-formylphenoxy)methyl]benzoic acid is O=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-formylphenoxy)methyl]benzoic acid?
The InChIKey is ZKWZTMPNUCKOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2,(H,17,18).
What are the key properties of 4-[(4-formylphenoxy)methyl]benzoic acid?
4-[(4-formylphenoxy)methyl]benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-formylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 882936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).