3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid

C14H10BrIO3 — CID 65478431

IUPAC3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(Br)c1OCc1ccc(I)cc1
InChIInChI=1S/C14H10BrIO3/c15-12-3-1-2-11(14(17)18)13(12)19-8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H,17,18)
InChIKeyJEBCQFVIEIREGY-UHFFFAOYSA-N
MW433.04 g/mol
LogP4.33
Rot. Bonds4

About 3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid

3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid (PubChem CID 65478431) has the molecular formula C14H10BrIO3 and a molecular weight of 433.04 g/mol. Its IUPAC name is 3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
PubChem CID65478431
Molecular FormulaC14H10BrIO3
Molecular Weight433.04 g/mol
Exact Mass431.89
IUPAC Name3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(Br)c1OCc1ccc(I)cc1
InChIInChI=1S/C14H10BrIO3/c15-12-3-1-2-11(14(17)18)13(12)19-8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H,17,18)
InChIKeyJEBCQFVIEIREGY-UHFFFAOYSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.04
LogP ≤ 54.33
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

3-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 103038113
3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 61391310
(3-bromo-2-phenylmethoxyphenyl)-phenylmethanone
CID 58238538
3-bromo-2-(2-hydroxyethoxy)benzoic acid
CID 61391225
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214
3-bromo-2-(1,3-thiazol-5-ylmethoxy)benzoic acid
CID 112640727
3-bromo-2-[(2,3-dichlorophenyl)methoxy]benzoic acid
CID 107306555
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
3-bromo-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61391092
3-bromo-2-(3-methoxypropoxy)benzoic acid
CID 61391132
2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
CID 104637856
3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
CID 61391322

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid?
The IUPAC name of 3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid (CID 65478431) is 3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid is O=C(O)c1cccc(Br)c1OCc1ccc(I)cc1.
What is the InChIKey of 3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid?
The InChIKey is JEBCQFVIEIREGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIO3/c15-12-3-1-2-11(14(17)18)13(12)19-8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid?
3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid has a molecular weight of 433.04 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid is sourced from PubChem (CID 65478431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).