2-(5-hydroxy-2-iodooxyphenyl)acetic acid

C8H7IO4 — CID 174312460

IUPAC2-(5-hydroxy-2-iodooxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(O)ccc1OI
InChIInChI=1S/C8H7IO4/c9-13-7-2-1-6(10)3-5(7)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeyZCOMRTOYWHZSKN-UHFFFAOYSA-N
MW294.04 g/mol
LogP1.75
Rot. Bonds3

About 2-(5-hydroxy-2-iodooxyphenyl)acetic acid

2-(5-hydroxy-2-iodooxyphenyl)acetic acid (PubChem CID 174312460) has the molecular formula C8H7IO4 and a molecular weight of 294.04 g/mol. Its IUPAC name is 2-(5-hydroxy-2-iodooxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-hydroxy-2-iodooxyphenyl)acetic acid
PubChem CID174312460
Molecular FormulaC8H7IO4
Molecular Weight294.04 g/mol
Exact Mass293.94
IUPAC Name2-(5-hydroxy-2-iodooxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(O)ccc1OI
InChIInChI=1S/C8H7IO4/c9-13-7-2-1-6(10)3-5(7)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeyZCOMRTOYWHZSKN-UHFFFAOYSA-N
XLogP1.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-iodooxyphenyl)acetic acid
CID 174319514
CID 89164400
CID 89164400
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid
CID 141078685
[2-(acetylcarbamoyl)-4-hydroxyphenyl] hypoiodite
CID 174307517
2-[(2-ethoxy-5-hydroxyphenyl)methylsulfanyl]acetic acid
CID 68831855
benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
3-(2-formyl-5-hydroxyphenyl)propanoic acid
CID 117284284
2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid
CID 134402841
1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
CID 141060265
2-hydroperoxy-5-hydroxybenzoic acid
CID 19099205
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-iodooxyphenyl)acetic acid?
The IUPAC name of 2-(5-hydroxy-2-iodooxyphenyl)acetic acid (CID 174312460) is 2-(5-hydroxy-2-iodooxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-hydroxy-2-iodooxyphenyl)acetic acid?
The canonical SMILES for 2-(5-hydroxy-2-iodooxyphenyl)acetic acid is O=C(O)Cc1cc(O)ccc1OI.
What is the InChIKey of 2-(5-hydroxy-2-iodooxyphenyl)acetic acid?
The InChIKey is ZCOMRTOYWHZSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO4/c9-13-7-2-1-6(10)3-5(7)4-8(11)12/h1-3,10H,4H2,(H,11,12).
What are the key properties of 2-(5-hydroxy-2-iodooxyphenyl)acetic acid?
2-(5-hydroxy-2-iodooxyphenyl)acetic acid has a molecular weight of 294.04 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-iodooxyphenyl)acetic acid is sourced from PubChem (CID 174312460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).