methyl 3-(2-iodoethoxy)benzoate

C10H11IO3 — CID 10979673

IUPACmethyl 3-(2-iodoethoxy)benzoate
SMILESCOC(=O)c1cccc(OCCI)c1
InChIInChI=1S/C10H11IO3/c1-13-10(12)8-3-2-4-9(7-8)14-6-5-11/h2-4,7H,5-6H2,1H3
InChIKeyNYECALBCMWCKJN-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.29
Rot. Bonds4

About methyl 3-(2-iodoethoxy)benzoate

methyl 3-(2-iodoethoxy)benzoate (PubChem CID 10979673) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is methyl 3-(2-iodoethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-iodoethoxy)benzoate
PubChem CID10979673
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Namemethyl 3-(2-iodoethoxy)benzoate
SMILESCOC(=O)c1cccc(OCCI)c1
InChIInChI=1S/C10H11IO3/c1-13-10(12)8-3-2-4-9(7-8)14-6-5-11/h2-4,7H,5-6H2,1H3
InChIKeyNYECALBCMWCKJN-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
methyl 3-ethoxybenzoate
CID 3267781
methyl 3-octoxybenzoate
CID 72706029
methyl 3-(2-cyanoethoxy)benzoate
CID 69003479
methyl 3-(4-oxobutoxy)benzoate
CID 25169734
methyl 3-(3-azidopropoxy)benzoate
CID 54770673
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
CID 59716384
CID 59716384
methyl 3-[4-(3-methylbutoxy)benzoyl]oxybenzoate
CID 23011810
methyl 3-(2-bromopropan-2-yloxy)benzoate
CID 70204795
8-(3-methoxycarbonylphenoxy)octyl pyridine-3-carboxylate
CID 11531112
methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride
CID 56830226

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-iodoethoxy)benzoate?
The IUPAC name of methyl 3-(2-iodoethoxy)benzoate (CID 10979673) is methyl 3-(2-iodoethoxy)benzoate.
What is the SMILES notation for methyl 3-(2-iodoethoxy)benzoate?
The canonical SMILES for methyl 3-(2-iodoethoxy)benzoate is COC(=O)c1cccc(OCCI)c1.
What is the InChIKey of methyl 3-(2-iodoethoxy)benzoate?
The InChIKey is NYECALBCMWCKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-13-10(12)8-3-2-4-9(7-8)14-6-5-11/h2-4,7H,5-6H2,1H3.
What are the key properties of methyl 3-(2-iodoethoxy)benzoate?
methyl 3-(2-iodoethoxy)benzoate has a molecular weight of 306.10 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-iodoethoxy)benzoate is sourced from PubChem (CID 10979673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).