methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate

C11H12ClIO2 — CID 86229799

IUPACmethyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate
SMILESCCc1cc(I)cc(Cl)c1CC(=O)OC
InChIInChI=1S/C11H12ClIO2/c1-3-7-4-8(13)5-10(12)9(7)6-11(14)15-2/h4-5H,3,6H2,1-2H3
InChIKeyUGYIYDOEIUOMLV-UHFFFAOYSA-N
MW338.57 g/mol
LogP3.22
Rot. Bonds3

About methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate

methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate (PubChem CID 86229799) has the molecular formula C11H12ClIO2 and a molecular weight of 338.57 g/mol. Its IUPAC name is methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate
PubChem CID86229799
Molecular FormulaC11H12ClIO2
Molecular Weight338.57 g/mol
Exact Mass337.96
IUPAC Namemethyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate
SMILESCCc1cc(I)cc(Cl)c1CC(=O)OC
InChIInChI=1S/C11H12ClIO2/c1-3-7-4-8(13)5-10(12)9(7)6-11(14)15-2/h4-5H,3,6H2,1-2H3
InChIKeyUGYIYDOEIUOMLV-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(bromomethyl)-2,6-dichlorophenyl]acetate
CID 59419500
methyl 2-(2-amino-4,6-dichlorophenyl)acetate
CID 131482461
methyl 2-[2-chloro-4-(chloromethyl)-6-methylphenyl]acetate
CID 171015797
methyl 2-(2-chloro-4-formyl-6-methylphenyl)acetate
CID 171021659
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
methyl 2-(2-ethyl-6-methoxy-4-methylphenyl)acetate
CID 59302016
methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate
CID 58892842
ethyl 2-(2-cyano-6-ethyl-4-iodophenyl)acetate
CID 134614895
methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate
CID 171028383
methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
CID 82552401
methyl 2-(3,5-dichloro-4-methylphenyl)acetate
CID 121228410
methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
CID 130864862

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate?
The IUPAC name of methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate (CID 86229799) is methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate?
The canonical SMILES for methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate is CCc1cc(I)cc(Cl)c1CC(=O)OC.
What is the InChIKey of methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate?
The InChIKey is UGYIYDOEIUOMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClIO2/c1-3-7-4-8(13)5-10(12)9(7)6-11(14)15-2/h4-5H,3,6H2,1-2H3.
What are the key properties of methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate?
methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate has a molecular weight of 338.57 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate is sourced from PubChem (CID 86229799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).