2-ethyl-2-(2-iodophenyl)butan-1-ol

C12H17IO — CID 12072771

IUPAC2-ethyl-2-(2-iodophenyl)butan-1-ol
SMILESCCC(CC)(CO)c1ccccc1I
InChIInChI=1S/C12H17IO/c1-3-12(4-2,9-14)10-7-5-6-8-11(10)13/h5-8,14H,3-4,9H2,1-2H3
InChIKeyXDCIXDXKZSLNGI-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.34
Rot. Bonds4

About 2-ethyl-2-(2-iodophenyl)butan-1-ol

2-ethyl-2-(2-iodophenyl)butan-1-ol (PubChem CID 12072771) has the molecular formula C12H17IO and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-ethyl-2-(2-iodophenyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(2-iodophenyl)butan-1-ol
PubChem CID12072771
Molecular FormulaC12H17IO
Molecular Weight304.17 g/mol
Exact Mass304.03
IUPAC Name2-ethyl-2-(2-iodophenyl)butan-1-ol
SMILESCCC(CC)(CO)c1ccccc1I
InChIInChI=1S/C12H17IO/c1-3-12(4-2,9-14)10-7-5-6-8-11(10)13/h5-8,14H,3-4,9H2,1-2H3
InChIKeyXDCIXDXKZSLNGI-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodophenyl)-2-methylbutanenitrile
CID 117047768
1-tert-butyl-2-iodobenzene
CID 637957
(1S)-1-(cyclopropylamino)-1-(2-iodophenyl)propan-1-ol
CID 174741161
1,3,5-triiodo-2-[2-(2-iodophenyl)butan-2-yl]benzene
CID 174807574
2-(2-iodophenyl)propan-2-olate
CID 140938486
3-(2-iodophenyl)-2,4-dimethylpentan-3-ol
CID 11974474
2-ethyl-2-(2-iodophenyl)-4-trimethylsilylbutanoic acid
CID 139606604
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568
4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol
CID 156763954
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
CID 18356493
2-ethyl-2-phenyldecan-1-ol
CID 66058928

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-iodophenyl)butan-1-ol?
The IUPAC name of 2-ethyl-2-(2-iodophenyl)butan-1-ol (CID 12072771) is 2-ethyl-2-(2-iodophenyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(2-iodophenyl)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(2-iodophenyl)butan-1-ol is CCC(CC)(CO)c1ccccc1I.
What is the InChIKey of 2-ethyl-2-(2-iodophenyl)butan-1-ol?
The InChIKey is XDCIXDXKZSLNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO/c1-3-12(4-2,9-14)10-7-5-6-8-11(10)13/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of 2-ethyl-2-(2-iodophenyl)butan-1-ol?
2-ethyl-2-(2-iodophenyl)butan-1-ol has a molecular weight of 304.17 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-iodophenyl)butan-1-ol is sourced from PubChem (CID 12072771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).