4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid

C17H17FO5 — CID 145364125

IUPAC4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid
SMILESCOc1cc(C(=O)O)cc(C)c1OCCOc1ccccc1F
InChIInChI=1S/C17H17FO5/c1-11-9-12(17(19)20)10-15(21-2)16(11)23-8-7-22-14-6-4-3-5-13(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyQPORMRQHWOIXJF-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.30
Rot. Bonds7

About 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid

4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid (PubChem CID 145364125) has the molecular formula C17H17FO5 and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid.

Molecular Properties

Compound Name4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid
PubChem CID145364125
Molecular FormulaC17H17FO5
Molecular Weight320.32 g/mol
Exact Mass320.11
IUPAC Name4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid
SMILESCOc1cc(C(=O)O)cc(C)c1OCCOc1ccccc1F
InChIInChI=1S/C17H17FO5/c1-11-9-12(17(19)20)10-15(21-2)16(11)23-8-7-22-14-6-4-3-5-13(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyQPORMRQHWOIXJF-UHFFFAOYSA-N
XLogP3.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic 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

4-[2-(2-fluorophenoxy)ethoxy]-3-methylbenzoic acid
CID 104651443
1-[4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-propan-2-ylphenyl]ethenol
CID 160903575
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 28932941
3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
CID 176508630
4-[2-(2-fluoroanilino)-2-oxoethoxy]-3,5-dimethoxybenzoic acid
CID 99989728
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
4-[2-(2-methoxyethoxy)phenyl]-3-methylbenzoic acid
CID 104660748
2-(2-methylphenoxy)ethyl 3,4,5-trimethoxybenzoate
CID 8013093
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
CID 170440928
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid?
The IUPAC name of 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid (CID 145364125) is 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid.
What is the SMILES notation for 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid?
The canonical SMILES for 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid is COc1cc(C(=O)O)cc(C)c1OCCOc1ccccc1F.
What is the InChIKey of 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid?
The InChIKey is QPORMRQHWOIXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO5/c1-11-9-12(17(19)20)10-15(21-2)16(11)23-8-7-22-14-6-4-3-5-13(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid?
4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid has a molecular weight of 320.32 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid is sourced from PubChem (CID 145364125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).