2-(3-iodo-4-methoxyphenyl)acetic acid

C9H9IO3 — CID 13353983

IUPAC2-(3-iodo-4-methoxyphenyl)acetic acid
SMILESCOc1ccc(CC(=O)O)cc1I
InChIInChI=1S/C9H9IO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyJWLMGEOLRNFHSW-UHFFFAOYSA-N
MW292.07 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-iodo-4-methoxyphenyl)acetic acid

2-(3-iodo-4-methoxyphenyl)acetic acid (PubChem CID 13353983) has the molecular formula C9H9IO3 and a molecular weight of 292.07 g/mol. Its IUPAC name is 2-(3-iodo-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-iodo-4-methoxyphenyl)acetic acid
PubChem CID13353983
Molecular FormulaC9H9IO3
Molecular Weight292.07 g/mol
Exact Mass291.96
IUPAC Name2-(3-iodo-4-methoxyphenyl)acetic acid
SMILESCOc1ccc(CC(=O)O)cc1I
InChIInChI=1S/C9H9IO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyJWLMGEOLRNFHSW-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 51.93
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-[3-(iodomethyl)-4-methoxyphenyl]acetic acid
CID 147269305
2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 139881431
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-(3-iodo-4-methoxyphenyl)ethyl acetate
CID 121223074
2-iodo-4-[4-(3-iodo-4-methoxyphenyl)butyl]-1-methoxybenzene
CID 71345262
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
2-iodo-1-methoxy-4-(2-methylpropyl)benzene
CID 153170033
2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
CID 1209089
4-[5-(carboxymethyl)-2-methoxyphenyl]-3,4-dihydroxybutanoic acid
CID 171878567
2-[4-methoxy-3-(1,2,3-trihydroxypropyl)phenyl]acetic acid
CID 170818730

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodo-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3-iodo-4-methoxyphenyl)acetic acid (CID 13353983) is 2-(3-iodo-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-iodo-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-iodo-4-methoxyphenyl)acetic acid is COc1ccc(CC(=O)O)cc1I.
What is the InChIKey of 2-(3-iodo-4-methoxyphenyl)acetic acid?
The InChIKey is JWLMGEOLRNFHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(3-iodo-4-methoxyphenyl)acetic acid?
2-(3-iodo-4-methoxyphenyl)acetic acid has a molecular weight of 292.07 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodo-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 13353983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).