3-(2-iodophenyl)-2,4-dimethylpentan-3-ol

C13H19IO — CID 11974474

IUPAC3-(2-iodophenyl)-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)(c1ccccc1I)C(C)C
InChIInChI=1S/C13H19IO/c1-9(2)13(15,10(3)4)11-7-5-6-8-12(11)14/h5-10,15H,1-4H3
InChIKeyZKPLDEWXRKWXTD-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.79
Rot. Bonds3

About 3-(2-iodophenyl)-2,4-dimethylpentan-3-ol

3-(2-iodophenyl)-2,4-dimethylpentan-3-ol (PubChem CID 11974474) has the molecular formula C13H19IO and a molecular weight of 318.20 g/mol. Its IUPAC name is 3-(2-iodophenyl)-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name3-(2-iodophenyl)-2,4-dimethylpentan-3-ol
PubChem CID11974474
Molecular FormulaC13H19IO
Molecular Weight318.20 g/mol
Exact Mass318.05
IUPAC Name3-(2-iodophenyl)-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)(c1ccccc1I)C(C)C
InChIInChI=1S/C13H19IO/c1-9(2)13(15,10(3)4)11-7-5-6-8-12(11)14/h5-10,15H,1-4H3
InChIKeyZKPLDEWXRKWXTD-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.79
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

1-tert-butyl-2-iodobenzene
CID 637957
3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol
CID 53253806
2-(2-iodophenyl)propan-2-olate
CID 140938486
4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol
CID 156763954
[(1S)-1-hydroxy-1-(2-iodophenyl)butyl] N-propan-2-ylcarbamate
CID 140610619
tert-butyl 2-(2-iodophenyl)-2-methylpropanoate
CID 54286755
(1S)-1-(cyclopropylamino)-1-(2-iodophenyl)propan-1-ol
CID 174741161
2-ethyl-2-(2-iodophenyl)butan-1-ol
CID 12072771
2,4-dimethyl-3-quinolin-5-ylpentan-3-ol
CID 112743447
[4-hydroxy-4-(2-iodophenyl)-6-methylheptan-2-yl] carbamate
CID 174741142
2-(2-iodophenyl)-2-methylpropanal
CID 117046923
[(1S)-1-(2-iodophenyl)-1-methoxy-3-methylbutyl] N-propan-2-ylcarbamate
CID 140610646

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenyl)-2,4-dimethylpentan-3-ol?
The IUPAC name of 3-(2-iodophenyl)-2,4-dimethylpentan-3-ol (CID 11974474) is 3-(2-iodophenyl)-2,4-dimethylpentan-3-ol.
What is the SMILES notation for 3-(2-iodophenyl)-2,4-dimethylpentan-3-ol?
The canonical SMILES for 3-(2-iodophenyl)-2,4-dimethylpentan-3-ol is CC(C)C(O)(c1ccccc1I)C(C)C.
What is the InChIKey of 3-(2-iodophenyl)-2,4-dimethylpentan-3-ol?
The InChIKey is ZKPLDEWXRKWXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IO/c1-9(2)13(15,10(3)4)11-7-5-6-8-12(11)14/h5-10,15H,1-4H3.
What are the key properties of 3-(2-iodophenyl)-2,4-dimethylpentan-3-ol?
3-(2-iodophenyl)-2,4-dimethylpentan-3-ol has a molecular weight of 318.20 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 11974474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).