5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid

C15H13FO3 — CID 63292702

IUPAC5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
SMILESCc1ccc(OCc2ccc(F)cc2C(=O)O)cc1
InChIInChI=1S/C15H13FO3/c1-10-2-6-13(7-3-10)19-9-11-4-5-12(16)8-14(11)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeySJJRMIIUGLJXSM-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.41
Rot. Bonds4

About 5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid

5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid (PubChem CID 63292702) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
PubChem CID63292702
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
SMILESCc1ccc(OCc2ccc(F)cc2C(=O)O)cc1
InChIInChI=1S/C15H13FO3/c1-10-2-6-13(7-3-10)19-9-11-4-5-12(16)8-14(11)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeySJJRMIIUGLJXSM-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

5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 55173092
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)benzoic acid
CID 117221220
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221035
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 104637832
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 104637795
ethyl 2-[[4-(2-ethoxy-2-oxoethyl)phenoxy]methyl]-5-fluorobenzoate
CID 21269162

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid?
The IUPAC name of 5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid (CID 63292702) is 5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid is Cc1ccc(OCc2ccc(F)cc2C(=O)O)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid?
The InChIKey is SJJRMIIUGLJXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10-2-6-13(7-3-10)19-9-11-4-5-12(16)8-14(11)15(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid?
5-fluoro-2-[(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 5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 63292702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).