2-(2-ethoxyphenyl)-5-fluorobenzoic acid

C15H13FO3 — CID 55120835

IUPAC2-(2-ethoxyphenyl)-5-fluorobenzoic acid
SMILESCCOc1ccccc1-c1ccc(F)cc1C(=O)O
InChIInChI=1S/C15H13FO3/c1-2-19-14-6-4-3-5-12(14)11-8-7-10(16)9-13(11)15(17)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeyKDGKMNKMYHHNIP-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.59
Rot. Bonds4

About 2-(2-ethoxyphenyl)-5-fluorobenzoic acid

2-(2-ethoxyphenyl)-5-fluorobenzoic acid (PubChem CID 55120835) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-5-fluorobenzoic acid
PubChem CID55120835
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-(2-ethoxyphenyl)-5-fluorobenzoic acid
SMILESCCOc1ccccc1-c1ccc(F)cc1C(=O)O
InChIInChI=1S/C15H13FO3/c1-2-19-14-6-4-3-5-12(14)11-8-7-10(16)9-13(11)15(17)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeyKDGKMNKMYHHNIP-UHFFFAOYSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014311
2-ethoxybenzoic acid;zinc
CID 172723273
2-[2-(2-methoxyethoxy)phenyl]-5-methylbenzoic acid
CID 104660750
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
methyl 5-amino-2-(2-ethoxyphenyl)benzoate
CID 168665379
5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225681
2-(3,4-diethylphenyl)-5-fluorobenzoic acid
CID 115482491
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-(2-heptoxyphenyl)benzoic acid
CID 70433575
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-5-fluorobenzoic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-5-fluorobenzoic acid (CID 55120835) is 2-(2-ethoxyphenyl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-5-fluorobenzoic acid is CCOc1ccccc1-c1ccc(F)cc1C(=O)O.
What is the InChIKey of 2-(2-ethoxyphenyl)-5-fluorobenzoic acid?
The InChIKey is KDGKMNKMYHHNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-2-19-14-6-4-3-5-12(14)11-8-7-10(16)9-13(11)15(17)18/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 2-(2-ethoxyphenyl)-5-fluorobenzoic acid?
2-(2-ethoxyphenyl)-5-fluorobenzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-5-fluorobenzoic acid is sourced from PubChem (CID 55120835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).