2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid

C16H15FO4 — CID 107881120

IUPAC2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid
SMILESO=C(O)c1cc(COCCOc2ccccc2)ccc1F
InChIInChI=1S/C16H15FO4/c17-15-7-6-12(10-14(15)16(18)19)11-20-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,18,19)
InChIKeyKKFQVFZYIBHTLM-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.12
Rot. Bonds7

About 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid

2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid (PubChem CID 107881120) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid
PubChem CID107881120
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid
SMILESO=C(O)c1cc(COCCOc2ccccc2)ccc1F
InChIInChI=1S/C16H15FO4/c17-15-7-6-12(10-14(15)16(18)19)11-20-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,18,19)
InChIKeyKKFQVFZYIBHTLM-UHFFFAOYSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid
CID 107881207
2-fluoro-5-(4,4,4-trifluorobutoxymethyl)benzoic acid
CID 107881260
2-fluoro-5-(heptoxymethyl)benzoic acid
CID 114012263
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
CID 107881304
2-chloro-5-(phenoxymethyl)benzoic acid
CID 117221772
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
2-bromo-5-(phenoxymethyl)benzoic acid
CID 117221773
2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 106698358
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
5-[2-(2-carboxyphenyl)-2-oxoethyl]-2-fluorobenzoic acid
CID 153291500

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid?
The IUPAC name of 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid (CID 107881120) is 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid is O=C(O)c1cc(COCCOc2ccccc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid?
The InChIKey is KKFQVFZYIBHTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c17-15-7-6-12(10-14(15)16(18)19)11-20-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,18,19).
What are the key properties of 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid?
2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid is sourced from PubChem (CID 107881120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).