2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol

C14H21IO — CID 118327930

IUPAC2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol
SMILESCC(C)(C)c1ccc(I)c(C(C)(C)CO)c1
InChIInChI=1S/C14H21IO/c1-13(2,3)10-6-7-12(15)11(8-10)14(4,5)9-16/h6-8,16H,9H2,1-5H3
InChIKeyYFDIBMJZOICEFI-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.86
Rot. Bonds2

About 2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol

2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol (PubChem CID 118327930) has the molecular formula C14H21IO and a molecular weight of 332.23 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol
PubChem CID118327930
Molecular FormulaC14H21IO
Molecular Weight332.23 g/mol
Exact Mass332.06
IUPAC Name2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol
SMILESCC(C)(C)c1ccc(I)c(C(C)(C)CO)c1
InChIInChI=1S/C14H21IO/c1-13(2,3)10-6-7-12(15)11(8-10)14(4,5)9-16/h6-8,16H,9H2,1-5H3
InChIKeyYFDIBMJZOICEFI-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol (CID 118327930) is 2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol is CC(C)(C)c1ccc(I)c(C(C)(C)CO)c1.
What is the InChIKey of 2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol?
The InChIKey is YFDIBMJZOICEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IO/c1-13(2,3)10-6-7-12(15)11(8-10)14(4,5)9-16/h6-8,16H,9H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol?
2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol has a molecular weight of 332.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-iodophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 118327930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).