3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid

C16H15FO4 — CID 164895178

IUPAC3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
SMILESCCOc1cc(C(=O)O)cc(OCc2ccccc2)c1F
InChIInChI=1S/C16H15FO4/c1-2-20-13-8-12(16(18)19)9-14(15(13)17)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyXQMFUXJOXBQBPH-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.50
Rot. Bonds6

About 3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid

3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid (PubChem CID 164895178) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
PubChem CID164895178
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
SMILESCCOc1cc(C(=O)O)cc(OCc2ccccc2)c1F
InChIInChI=1S/C16H15FO4/c1-2-20-13-8-12(16(18)19)9-14(15(13)17)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyXQMFUXJOXBQBPH-UHFFFAOYSA-N
XLogP3.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
CID 6462606
3-chloro-5-ethoxy-4-fluorobenzoic acid
CID 164895505
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
ethyl 3-(3,4-difluoro-5-phenylmethoxyphenyl)-2,2-dimethylpropanoate
CID 57470613
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
3-[(2-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 113435752
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid?
The IUPAC name of 3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid (CID 164895178) is 3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid.
What is the SMILES notation for 3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid?
The canonical SMILES for 3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid is CCOc1cc(C(=O)O)cc(OCc2ccccc2)c1F.
What is the InChIKey of 3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid?
The InChIKey is XQMFUXJOXBQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-2-20-13-8-12(16(18)19)9-14(15(13)17)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid?
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid is sourced from PubChem (CID 164895178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).