1-(2-iodophenyl)-2-propan-2-yloxyethanol

C11H15IO2 — CID 115821533

IUPAC1-(2-iodophenyl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1ccccc1I
InChIInChI=1S/C11H15IO2/c1-8(2)14-7-11(13)9-5-3-4-6-10(9)12/h3-6,8,11,13H,7H2,1-2H3
InChIKeyIDVVNYBBRMKBDC-UHFFFAOYSA-N
MW306.14 g/mol
LogP2.75
Rot. Bonds4

About 1-(2-iodophenyl)-2-propan-2-yloxyethanol

1-(2-iodophenyl)-2-propan-2-yloxyethanol (PubChem CID 115821533) has the molecular formula C11H15IO2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-propan-2-yloxyethanol
PubChem CID115821533
Molecular FormulaC11H15IO2
Molecular Weight306.14 g/mol
Exact Mass306.01
IUPAC Name1-(2-iodophenyl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1ccccc1I
InChIInChI=1S/C11H15IO2/c1-8(2)14-7-11(13)9-5-3-4-6-10(9)12/h3-6,8,11,13H,7H2,1-2H3
InChIKeyIDVVNYBBRMKBDC-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-iodophenyl)-2-methoxyethanol
CID 115819112
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
1-(2-iodophenyl)-3-methylpentan-1-ol
CID 115789355
1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol
CID 115821571
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
CID 102842375
1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 60902154
1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028149
1-(2-iodophenyl)-3-phenylpropan-1-ol
CID 14918705
2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol
CID 115782342
2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79566977
2-(4-bromophenyl)-1-(2-iodophenyl)ethanol
CID 63016179

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(2-iodophenyl)-2-propan-2-yloxyethanol (CID 115821533) is 1-(2-iodophenyl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(2-iodophenyl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(2-iodophenyl)-2-propan-2-yloxyethanol is CC(C)OCC(O)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-propan-2-yloxyethanol?
The InChIKey is IDVVNYBBRMKBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2/c1-8(2)14-7-11(13)9-5-3-4-6-10(9)12/h3-6,8,11,13H,7H2,1-2H3.
What are the key properties of 1-(2-iodophenyl)-2-propan-2-yloxyethanol?
1-(2-iodophenyl)-2-propan-2-yloxyethanol has a molecular weight of 306.14 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 115821533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).