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

C15H13FO3 — CID 63073092

IUPAC3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
SMILESCc1ccc(OCc2ccc(C(=O)O)cc2F)cc1
InChIInChI=1S/C15H13FO3/c1-10-2-6-13(7-3-10)19-9-12-5-4-11(15(17)18)8-14(12)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyRCKSUBPJXLTXJW-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.41
Rot. Bonds4

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

3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid (PubChem CID 63073092) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
PubChem CID63073092
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
SMILESCc1ccc(OCc2ccc(C(=O)O)cc2F)cc1
InChIInChI=1S/C15H13FO3/c1-10-2-6-13(7-3-10)19-9-12-5-4-11(15(17)18)8-14(12)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyRCKSUBPJXLTXJW-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-4-fluorophenoxy)methyl]-3-fluorobenzoic acid
CID 63879027
4-[(4-chloro-3-ethylphenoxy)methyl]-3-fluorobenzoic acid
CID 63530976
4-[(2,4-dimethylphenyl)methoxy]benzoic acid
CID 131881242
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
4-fluoro-3-[(4-propan-2-ylphenoxy)methyl]benzoic acid
CID 63530478
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)benzoic acid
CID 117221220
1-methyl-3-[(4-methylphenoxy)methyl]indole-6-carboxylic acid
CID 117178698
1-methyl-3-[(4-methylphenoxy)methyl]indole-5-carboxylic acid
CID 117175310
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid
CID 114485685

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid (CID 63073092) is 3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid is Cc1ccc(OCc2ccc(C(=O)O)cc2F)cc1.
What is the InChIKey of 3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid?
The InChIKey is RCKSUBPJXLTXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10-2-6-13(7-3-10)19-9-12-5-4-11(15(17)18)8-14(12)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid?
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 63073092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).