6-(4-iodophenyl)-2-methylhexan-3-ol

C13H19IO — CID 65490172

IUPAC6-(4-iodophenyl)-2-methylhexan-3-ol
SMILESCC(C)C(O)CCCc1ccc(I)cc1
InChIInChI=1S/C13H19IO/c1-10(2)13(15)5-3-4-11-6-8-12(14)9-7-11/h6-10,13,15H,3-5H2,1-2H3
InChIKeyAMISHLVWSYDZMM-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.63
Rot. Bonds5

About 6-(4-iodophenyl)-2-methylhexan-3-ol

6-(4-iodophenyl)-2-methylhexan-3-ol (PubChem CID 65490172) has the molecular formula C13H19IO and a molecular weight of 318.20 g/mol. Its IUPAC name is 6-(4-iodophenyl)-2-methylhexan-3-ol.

Molecular Properties

Compound Name6-(4-iodophenyl)-2-methylhexan-3-ol
PubChem CID65490172
Molecular FormulaC13H19IO
Molecular Weight318.20 g/mol
Exact Mass318.05
IUPAC Name6-(4-iodophenyl)-2-methylhexan-3-ol
SMILESCC(C)C(O)CCCc1ccc(I)cc1
InChIInChI=1S/C13H19IO/c1-10(2)13(15)5-3-4-11-6-8-12(14)9-7-11/h6-10,13,15H,3-5H2,1-2H3
InChIKeyAMISHLVWSYDZMM-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.63
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

6-(4-iodophenyl)-2-methylhexan-3-amine
CID 65489366
2-methyl-7-phenylheptan-3-ol
CID 10976646
2-methyl-7-phenylheptane-3,4-diol
CID 103456597
1-(4-iodophenyl)pentan-3-ol
CID 65476724
1-(3-chloro-4-methylpentyl)-4-iodobenzene
CID 65478133
CID 155601608
CID 155601608
6-(2-chlorophenyl)-2-methylhexan-3-ol
CID 64516556
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
CID 65185188
1-iodo-4-octadecylbenzene
CID 141122271
1,4-bis(4-methylhexyl)benzene
CID 145016441
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenyl)-2-methylhexan-3-ol?
The IUPAC name of 6-(4-iodophenyl)-2-methylhexan-3-ol (CID 65490172) is 6-(4-iodophenyl)-2-methylhexan-3-ol.
What is the SMILES notation for 6-(4-iodophenyl)-2-methylhexan-3-ol?
The canonical SMILES for 6-(4-iodophenyl)-2-methylhexan-3-ol is CC(C)C(O)CCCc1ccc(I)cc1.
What is the InChIKey of 6-(4-iodophenyl)-2-methylhexan-3-ol?
The InChIKey is AMISHLVWSYDZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IO/c1-10(2)13(15)5-3-4-11-6-8-12(14)9-7-11/h6-10,13,15H,3-5H2,1-2H3.
What are the key properties of 6-(4-iodophenyl)-2-methylhexan-3-ol?
6-(4-iodophenyl)-2-methylhexan-3-ol has a molecular weight of 318.20 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenyl)-2-methylhexan-3-ol is sourced from PubChem (CID 65490172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).