methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate

C11H11IO3 — CID 166450714

IUPACmethyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2cccc(I)c2)CC1
InChIInChI=1S/C11H11IO3/c1-14-10(13)11(5-6-11)15-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3
InChIKeyIYNJHCBRZXUNJR-UHFFFAOYSA-N
MW318.11 g/mol
LogP2.38
Rot. Bonds3

About methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate

methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate (PubChem CID 166450714) has the molecular formula C11H11IO3 and a molecular weight of 318.11 g/mol. Its IUPAC name is methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate
PubChem CID166450714
Molecular FormulaC11H11IO3
Molecular Weight318.11 g/mol
Exact Mass317.98
IUPAC Namemethyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2cccc(I)c2)CC1
InChIInChI=1S/C11H11IO3/c1-14-10(13)11(5-6-11)15-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3
InChIKeyIYNJHCBRZXUNJR-UHFFFAOYSA-N
XLogP2.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(4-formylphenoxy)cyclopropane-1-carboxylate
CID 97034337
1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
CID 83920700
N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine
CID 103273839
(3-iodophenyl) butanoate
CID 613173
(3-iodophenyl) carbonochloridate
CID 24749160
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate
CID 90299118
methyl 1-(3-methylbenzoyl)cyclobutane-1-carboxylate
CID 116922080
(3-iodophenyl) (2R)-2-hydroxypropanoate
CID 130670103
methyl 4-(3-iodophenoxy)-2-methylbut-2-enoate
CID 77074437
methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
CID 143039549
(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491316

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate (CID 166450714) is methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate is COC(=O)C1(Oc2cccc(I)c2)CC1.
What is the InChIKey of methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate?
The InChIKey is IYNJHCBRZXUNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO3/c1-14-10(13)11(5-6-11)15-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3.
What are the key properties of methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate?
methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate has a molecular weight of 318.11 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-iodophenoxy)cyclopropane-1-carboxylate is sourced from PubChem (CID 166450714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).