4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid

C17H17FO3 — CID 63530139

IUPAC4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
SMILESCCCc1ccc(OCc2cc(C(=O)O)ccc2F)cc1
InChIInChI=1S/C17H17FO3/c1-2-3-12-4-7-15(8-5-12)21-11-14-10-13(17(19)20)6-9-16(14)18/h4-10H,2-3,11H2,1H3,(H,19,20)
InChIKeyULYLXHFAFZPQEQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.06
Rot. Bonds6

About 4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid

4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid (PubChem CID 63530139) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
PubChem CID63530139
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
SMILESCCCc1ccc(OCc2cc(C(=O)O)ccc2F)cc1
InChIInChI=1S/C17H17FO3/c1-2-3-12-4-7-15(8-5-12)21-11-14-10-13(17(19)20)6-9-16(14)18/h4-10H,2-3,11H2,1H3,(H,19,20)
InChIKeyULYLXHFAFZPQEQ-UHFFFAOYSA-N
XLogP4.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[(4-propan-2-ylphenoxy)methyl]benzoic acid
CID 63530478
4-fluoro-3-propylbenzoic acid
CID 11745258
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
3-[(3,5-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 63073644
3-[(4-bromo-3-fluorophenoxy)methyl]-4-fluorobenzoic acid
CID 65202713
[2-fluoro-5-[(4-propylphenoxy)methyl]phenyl]boronic acid
CID 62548043
methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 110027237
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
CID 63074970
3-[(3-cyanophenoxy)methyl]-4-fluorobenzoic acid
CID 107451983
3-[[3-(dimethylamino)phenoxy]methyl]-4-fluorobenzoic acid
CID 63075215
4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid
CID 114485685

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid (CID 63530139) is 4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid is CCCc1ccc(OCc2cc(C(=O)O)ccc2F)cc1.
What is the InChIKey of 4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid?
The InChIKey is ULYLXHFAFZPQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-2-3-12-4-7-15(8-5-12)21-11-14-10-13(17(19)20)6-9-16(14)18/h4-10H,2-3,11H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid?
4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid has a molecular weight of 288.32 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 63530139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).