2-(4-chloro-2-iodo-6-methylphenyl)acetic acid

C9H8ClIO2 — CID 86229802

IUPAC2-(4-chloro-2-iodo-6-methylphenyl)acetic acid
SMILESCc1cc(Cl)cc(I)c1CC(=O)O
InChIInChI=1S/C9H8ClIO2/c1-5-2-6(10)3-8(11)7(5)4-9(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyRLQCXRXQMWOYMH-UHFFFAOYSA-N
MW310.52 g/mol
LogP2.88
Rot. Bonds2

About 2-(4-chloro-2-iodo-6-methylphenyl)acetic acid

2-(4-chloro-2-iodo-6-methylphenyl)acetic acid (PubChem CID 86229802) has the molecular formula C9H8ClIO2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 2-(4-chloro-2-iodo-6-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-iodo-6-methylphenyl)acetic acid
PubChem CID86229802
Molecular FormulaC9H8ClIO2
Molecular Weight310.52 g/mol
Exact Mass309.93
IUPAC Name2-(4-chloro-2-iodo-6-methylphenyl)acetic acid
SMILESCc1cc(Cl)cc(I)c1CC(=O)O
InChIInChI=1S/C9H8ClIO2/c1-5-2-6(10)3-8(11)7(5)4-9(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyRLQCXRXQMWOYMH-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodo-6-methylphenyl)acetic acid?
The IUPAC name of 2-(4-chloro-2-iodo-6-methylphenyl)acetic acid (CID 86229802) is 2-(4-chloro-2-iodo-6-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-chloro-2-iodo-6-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-chloro-2-iodo-6-methylphenyl)acetic acid is Cc1cc(Cl)cc(I)c1CC(=O)O.
What is the InChIKey of 2-(4-chloro-2-iodo-6-methylphenyl)acetic acid?
The InChIKey is RLQCXRXQMWOYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIO2/c1-5-2-6(10)3-8(11)7(5)4-9(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(4-chloro-2-iodo-6-methylphenyl)acetic acid?
2-(4-chloro-2-iodo-6-methylphenyl)acetic acid has a molecular weight of 310.52 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodo-6-methylphenyl)acetic acid is sourced from PubChem (CID 86229802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).