methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide

C11H14IO2Zn- — CID 87916986

IUPACmethyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide
SMILESI.[CH2-]Cc1cccc(CC(=O)OC)c1.[Zn]
InChIInChI=1S/C11H13O2.HI.Zn/c1-3-9-5-4-6-10(7-9)8-11(12)13-2;;/h4-7H,1,3,8H2,2H3;1H;/q-1;;
InChIKeyFQBDXEFMMICTPP-UHFFFAOYSA-N
MW370.53 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide

methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide (PubChem CID 87916986) has the molecular formula C11H14IO2Zn- and a molecular weight of 370.53 g/mol. Its IUPAC name is methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide.

Molecular Properties

Compound Namemethyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide
PubChem CID87916986
Molecular FormulaC11H14IO2Zn-
Molecular Weight370.53 g/mol
Exact Mass368.93
IUPAC Namemethyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide
SMILESI.[CH2-]Cc1cccc(CC(=O)OC)c1.[Zn]
InChIInChI=1S/C11H13O2.HI.Zn/c1-3-9-5-4-6-10(7-9)8-11(12)13-2;;/h4-7H,1,3,8H2,2H3;1H;/q-1;;
InChIKeyFQBDXEFMMICTPP-UHFFFAOYSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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methyl 2-[3-(methylsulfinylmethyl)phenyl]acetate
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methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate
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methyl 2-[3-(2-bromoacetyl)phenyl]acetate
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[3-(2-methoxy-2-oxoethyl)phenyl]methyl-triphenylphosphanium bromide
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methyl 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide?
The IUPAC name of methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide (CID 87916986) is methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide.
What is the SMILES notation for methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide?
The canonical SMILES for methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide is I.[CH2-]Cc1cccc(CC(=O)OC)c1.[Zn].
What is the InChIKey of methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide?
The InChIKey is FQBDXEFMMICTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2.HI.Zn/c1-3-9-5-4-6-10(7-9)8-11(12)13-2;;/h4-7H,1,3,8H2,2H3;1H;/q-1;;.
What are the key properties of methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide?
methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide has a molecular weight of 370.53 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide is sourced from PubChem (CID 87916986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).