2-[2-(iodomethyl)-5-methylphenyl]acetic acid

C10H11IO2 — CID 91883927

IUPAC2-[2-(iodomethyl)-5-methylphenyl]acetic acid
SMILESCc1ccc(CI)c(CC(=O)O)c1
InChIInChI=1S/C10H11IO2/c1-7-2-3-8(6-11)9(4-7)5-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyYUTKPEBGKXEUMI-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.56
Rot. Bonds3

About 2-[2-(iodomethyl)-5-methylphenyl]acetic acid

2-[2-(iodomethyl)-5-methylphenyl]acetic acid (PubChem CID 91883927) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-[2-(iodomethyl)-5-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(iodomethyl)-5-methylphenyl]acetic acid
PubChem CID91883927
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name2-[2-(iodomethyl)-5-methylphenyl]acetic acid
SMILESCc1ccc(CI)c(CC(=O)O)c1
InChIInChI=1S/C10H11IO2/c1-7-2-3-8(6-11)9(4-7)5-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyYUTKPEBGKXEUMI-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-[5-fluoro-2-(iodomethyl)phenyl]acetic acid
CID 91883853
2-(4-methyl-2-propanoylphenyl)acetic acid
CID 134628481
2-[2-(3-bromopropanoyl)-5-methylphenyl]acetic acid
CID 118825121
2-(5-methyl-2-phenylsulfanylphenyl)acetic acid
CID 12539105
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-ethyl-4-(iodomethyl)benzoic acid
CID 91883748
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
1,2-diethyl-4-methylbenzene;methane
CID 174446118
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid
CID 172650229

Frequently Asked Questions

What is the IUPAC name of 2-[2-(iodomethyl)-5-methylphenyl]acetic acid?
The IUPAC name of 2-[2-(iodomethyl)-5-methylphenyl]acetic acid (CID 91883927) is 2-[2-(iodomethyl)-5-methylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(iodomethyl)-5-methylphenyl]acetic acid?
The canonical SMILES for 2-[2-(iodomethyl)-5-methylphenyl]acetic acid is Cc1ccc(CI)c(CC(=O)O)c1.
What is the InChIKey of 2-[2-(iodomethyl)-5-methylphenyl]acetic acid?
The InChIKey is YUTKPEBGKXEUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-7-2-3-8(6-11)9(4-7)5-10(12)13/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-[2-(iodomethyl)-5-methylphenyl]acetic acid?
2-[2-(iodomethyl)-5-methylphenyl]acetic acid has a molecular weight of 290.10 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(iodomethyl)-5-methylphenyl]acetic acid is sourced from PubChem (CID 91883927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).