3-ethoxyphenol;iodoethane

C10H15IO2 — CID 162028202

IUPAC3-ethoxyphenol;iodoethane
SMILESCCI.CCOc1cccc(O)c1
InChIInChI=1S/C8H10O2.C2H5I/c1-2-10-8-5-3-4-7(9)6-8;1-2-3/h3-6,9H,2H2,1H3;2H2,1H3
InChIKeyYVQYUFIDACYLKW-UHFFFAOYSA-N
MW294.13 g/mol
LogP3.23
Rot. Bonds2

About 3-ethoxyphenol;iodoethane

3-ethoxyphenol;iodoethane (PubChem CID 162028202) has the molecular formula C10H15IO2 and a molecular weight of 294.13 g/mol. Its IUPAC name is 3-ethoxyphenol;iodoethane.

Molecular Properties

Compound Name3-ethoxyphenol;iodoethane
PubChem CID162028202
Molecular FormulaC10H15IO2
Molecular Weight294.13 g/mol
Exact Mass294.01
IUPAC Name3-ethoxyphenol;iodoethane
SMILESCCI.CCOc1cccc(O)c1
InChIInChI=1S/C8H10O2.C2H5I/c1-2-10-8-5-3-4-7(9)6-8;1-2-3/h3-6,9H,2H2,1H3;2H2,1H3
InChIKeyYVQYUFIDACYLKW-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxyphenol;iodoethane?
The IUPAC name of 3-ethoxyphenol;iodoethane (CID 162028202) is 3-ethoxyphenol;iodoethane.
What is the SMILES notation for 3-ethoxyphenol;iodoethane?
The canonical SMILES for 3-ethoxyphenol;iodoethane is CCI.CCOc1cccc(O)c1.
What is the InChIKey of 3-ethoxyphenol;iodoethane?
The InChIKey is YVQYUFIDACYLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C2H5I/c1-2-10-8-5-3-4-7(9)6-8;1-2-3/h3-6,9H,2H2,1H3;2H2,1H3.
What are the key properties of 3-ethoxyphenol;iodoethane?
3-ethoxyphenol;iodoethane has a molecular weight of 294.13 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyphenol;iodoethane is sourced from PubChem (CID 162028202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).