3-formyloxy-4-phenylbenzoic acid

C14H10O4 — CID 88506410

IUPAC3-formyloxy-4-phenylbenzoic acid
SMILESO=COc1cc(C(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C14H10O4/c15-9-18-13-8-11(14(16)17)6-7-12(13)10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKeyYOTBCCMCJNKHGL-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.59
Rot. Bonds4

About 3-formyloxy-4-phenylbenzoic acid

3-formyloxy-4-phenylbenzoic acid (PubChem CID 88506410) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-formyloxy-4-phenylbenzoic acid.

Molecular Properties

Compound Name3-formyloxy-4-phenylbenzoic acid
PubChem CID88506410
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name3-formyloxy-4-phenylbenzoic acid
SMILESO=COc1cc(C(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C14H10O4/c15-9-18-13-8-11(14(16)17)6-7-12(13)10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKeyYOTBCCMCJNKHGL-UHFFFAOYSA-N
XLogP2.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.59
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 3-formyloxy-4-phenylbenzoic acid?
The IUPAC name of 3-formyloxy-4-phenylbenzoic acid (CID 88506410) is 3-formyloxy-4-phenylbenzoic acid.
What is the SMILES notation for 3-formyloxy-4-phenylbenzoic acid?
The canonical SMILES for 3-formyloxy-4-phenylbenzoic acid is O=COc1cc(C(=O)O)ccc1-c1ccccc1.
What is the InChIKey of 3-formyloxy-4-phenylbenzoic acid?
The InChIKey is YOTBCCMCJNKHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-9-18-13-8-11(14(16)17)6-7-12(13)10-4-2-1-3-5-10/h1-9H,(H,16,17).
What are the key properties of 3-formyloxy-4-phenylbenzoic acid?
3-formyloxy-4-phenylbenzoic acid has a molecular weight of 242.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyloxy-4-phenylbenzoic acid is sourced from PubChem (CID 88506410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).