3-(2-iodophenyl)-2-methoxypropanoic acid

C10H11IO3 — CID 70425557

IUPAC3-(2-iodophenyl)-2-methoxypropanoic acid
SMILESCOC(Cc1ccccc1I)C(=O)O
InChIInChI=1S/C10H11IO3/c1-14-9(10(12)13)6-7-4-2-3-5-8(7)11/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyAVMGGBHPJHJEDN-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.93
Rot. Bonds4

About 3-(2-iodophenyl)-2-methoxypropanoic acid

3-(2-iodophenyl)-2-methoxypropanoic acid (PubChem CID 70425557) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is 3-(2-iodophenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(2-iodophenyl)-2-methoxypropanoic acid
PubChem CID70425557
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Name3-(2-iodophenyl)-2-methoxypropanoic acid
SMILESCOC(Cc1ccccc1I)C(=O)O
InChIInChI=1S/C10H11IO3/c1-14-9(10(12)13)6-7-4-2-3-5-8(7)11/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyAVMGGBHPJHJEDN-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
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-[(2-iodophenyl)methyl]propanedioic acid
CID 101269560
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
2-methoxy-3-(2-phenylsulfanylphenyl)propanoic acid
CID 133239287
methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036
methyl 3-(2-iodophenyl)-2-phenylpropanoate
CID 10737594
3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid
CID 18003437
2-acetamido-3-(2-iodophenyl)propanoic acid
CID 90399104
3-[(2-iodophenyl)methyl]hex-4-ynoic acid
CID 15785033
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
methyl 3-(2-iodophenyl)-2-oxopropanoate
CID 18370904
2-methoxy-N-methyl-3-(2-methylphenyl)propanamide
CID 141325108

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenyl)-2-methoxypropanoic acid?
The IUPAC name of 3-(2-iodophenyl)-2-methoxypropanoic acid (CID 70425557) is 3-(2-iodophenyl)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(2-iodophenyl)-2-methoxypropanoic acid?
The canonical SMILES for 3-(2-iodophenyl)-2-methoxypropanoic acid is COC(Cc1ccccc1I)C(=O)O.
What is the InChIKey of 3-(2-iodophenyl)-2-methoxypropanoic acid?
The InChIKey is AVMGGBHPJHJEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-14-9(10(12)13)6-7-4-2-3-5-8(7)11/h2-5,9H,6H2,1H3,(H,12,13).
What are the key properties of 3-(2-iodophenyl)-2-methoxypropanoic acid?
3-(2-iodophenyl)-2-methoxypropanoic acid has a molecular weight of 306.10 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)-2-methoxypropanoic acid is sourced from PubChem (CID 70425557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).