2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol

C12H17IO2 — CID 67244628

IUPAC2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol
SMILESCCOc1cc(C(C)(C)CO)ccc1I
InChIInChI=1S/C12H17IO2/c1-4-15-11-7-9(5-6-10(11)13)12(2,3)8-14/h5-7,14H,4,8H2,1-3H3
InChIKeyOEDJQJPTJXCUGD-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol

2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol (PubChem CID 67244628) has the molecular formula C12H17IO2 and a molecular weight of 320.17 g/mol. Its IUPAC name is 2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol
PubChem CID67244628
Molecular FormulaC12H17IO2
Molecular Weight320.17 g/mol
Exact Mass320.03
IUPAC Name2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol
SMILESCCOc1cc(C(C)(C)CO)ccc1I
InChIInChI=1S/C12H17IO2/c1-4-15-11-7-9(5-6-10(11)13)12(2,3)8-14/h5-7,14H,4,8H2,1-3H3
InChIKeyOEDJQJPTJXCUGD-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol (CID 67244628) is 2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol is CCOc1cc(C(C)(C)CO)ccc1I.
What is the InChIKey of 2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol?
The InChIKey is OEDJQJPTJXCUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO2/c1-4-15-11-7-9(5-6-10(11)13)12(2,3)8-14/h5-7,14H,4,8H2,1-3H3.
What are the key properties of 2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol?
2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol has a molecular weight of 320.17 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 67244628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).