4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid

C14H10FIO3 — CID 104637811

IUPAC4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
SMILESO=C(O)c1ccc(F)cc1COc1ccccc1I
InChIInChI=1S/C14H10FIO3/c15-10-5-6-11(14(17)18)9(7-10)8-19-13-4-2-1-3-12(13)16/h1-7H,8H2,(H,17,18)
InChIKeyQPRCOMPXGOZGMZ-UHFFFAOYSA-N
MW372.13 g/mol
LogP3.71
Rot. Bonds4

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

4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid (PubChem CID 104637811) has the molecular formula C14H10FIO3 and a molecular weight of 372.13 g/mol. Its IUPAC name is 4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
PubChem CID104637811
Molecular FormulaC14H10FIO3
Molecular Weight372.13 g/mol
Exact Mass371.97
IUPAC Name4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
SMILESO=C(O)c1ccc(F)cc1COc1ccccc1I
InChIInChI=1S/C14H10FIO3/c15-10-5-6-11(14(17)18)9(7-10)8-19-13-4-2-1-3-12(13)16/h1-7H,8H2,(H,17,18)
InChIKeyQPRCOMPXGOZGMZ-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.13
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 107908427
4-fluoro-2-(phenylmethoxymethyl)benzoic acid
CID 107908401
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967
2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014311
2-[(2,5-difluorophenyl)methoxy]-5-iodobenzoic acid
CID 115281933
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid?
The IUPAC name of 4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid (CID 104637811) is 4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid is O=C(O)c1ccc(F)cc1COc1ccccc1I.
What is the InChIKey of 4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid?
The InChIKey is QPRCOMPXGOZGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIO3/c15-10-5-6-11(14(17)18)9(7-10)8-19-13-4-2-1-3-12(13)16/h1-7H,8H2,(H,17,18).
What are the key properties of 4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid?
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid has a molecular weight of 372.13 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid is sourced from PubChem (CID 104637811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).