2-(4-iodo-2-methylphenoxy)propanoic acid

C10H11IO3 — CID 152974342

IUPAC2-(4-iodo-2-methylphenoxy)propanoic acid
SMILESCc1cc(I)ccc1OC(C)C(=O)O
InChIInChI=1S/C10H11IO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyUTCLRCQYXSEXBA-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-iodo-2-methylphenoxy)propanoic acid

2-(4-iodo-2-methylphenoxy)propanoic acid (PubChem CID 152974342) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is 2-(4-iodo-2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(4-iodo-2-methylphenoxy)propanoic acid
PubChem CID152974342
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Name2-(4-iodo-2-methylphenoxy)propanoic acid
SMILESCc1cc(I)ccc1OC(C)C(=O)O
InChIInChI=1S/C10H11IO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyUTCLRCQYXSEXBA-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.45
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

(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
2-(4-acetyloxy-2-methylphenoxy)propanoic acid
CID 170549700
2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 71089254
2-(4-iodo-2-methylphenyl)propanoic acid
CID 131284979
2-[4-[(Z)-3-(4-iodophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoxy]-2-methylphenoxy]propanoic acid
CID 67146531
(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide
CID 1019958
deuterio 2-(4-chloro-2-methylphenoxy)propanoate
CID 138402743
2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid
CID 4129569
2-[4-(4-iodophenyl)phenoxy]propanoic acid
CID 16773911
2-[4-[(E)-3-(4-iodophenyl)-3-(6-phenyl-3-pyridinyl)prop-2-enoxy]-2-methylphenoxy]propanoic acid
CID 67145741

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-methylphenoxy)propanoic acid?
The IUPAC name of 2-(4-iodo-2-methylphenoxy)propanoic acid (CID 152974342) is 2-(4-iodo-2-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-(4-iodo-2-methylphenoxy)propanoic acid?
The canonical SMILES for 2-(4-iodo-2-methylphenoxy)propanoic acid is Cc1cc(I)ccc1OC(C)C(=O)O.
What is the InChIKey of 2-(4-iodo-2-methylphenoxy)propanoic acid?
The InChIKey is UTCLRCQYXSEXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-(4-iodo-2-methylphenoxy)propanoic acid?
2-(4-iodo-2-methylphenoxy)propanoic acid has a molecular weight of 306.10 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-methylphenoxy)propanoic acid is sourced from PubChem (CID 152974342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).