2-(2-phenoxyethoxy)benzoic acid

C15H14O4 — CID 2360902

IUPAC2-(2-phenoxyethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C15H14O4/c16-15(17)13-8-4-5-9-14(13)19-11-10-18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
InChIKeyXTODKUCZLUADDH-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.84
Rot. Bonds6

About 2-(2-phenoxyethoxy)benzoic acid

2-(2-phenoxyethoxy)benzoic acid (PubChem CID 2360902) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)benzoic acid
PubChem CID2360902
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-(2-phenoxyethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C15H14O4/c16-15(17)13-8-4-5-9-14(13)19-11-10-18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
InChIKeyXTODKUCZLUADDH-UHFFFAOYSA-N
XLogP2.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)benzoic acid?
The IUPAC name of 2-(2-phenoxyethoxy)benzoic acid (CID 2360902) is 2-(2-phenoxyethoxy)benzoic acid.
What is the SMILES notation for 2-(2-phenoxyethoxy)benzoic acid?
The canonical SMILES for 2-(2-phenoxyethoxy)benzoic acid is O=C(O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethoxy)benzoic acid?
The InChIKey is XTODKUCZLUADDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-15(17)13-8-4-5-9-14(13)19-11-10-18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17).
What are the key properties of 2-(2-phenoxyethoxy)benzoic acid?
2-(2-phenoxyethoxy)benzoic acid has a molecular weight of 258.27 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)benzoic acid is sourced from PubChem (CID 2360902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).