1-(3-iodophenyl)-2-(4-methylphenyl)ethanol

C15H15IO — CID 63017729

IUPAC1-(3-iodophenyl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cccc(I)c2)cc1
InChIInChI=1S/C15H15IO/c1-11-5-7-12(8-6-11)9-15(17)13-3-2-4-14(16)10-13/h2-8,10,15,17H,9H2,1H3
InChIKeyLEUNKARBWXHQMH-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.88
Rot. Bonds3

About 1-(3-iodophenyl)-2-(4-methylphenyl)ethanol

1-(3-iodophenyl)-2-(4-methylphenyl)ethanol (PubChem CID 63017729) has the molecular formula C15H15IO and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(3-iodophenyl)-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-iodophenyl)-2-(4-methylphenyl)ethanol
PubChem CID63017729
Molecular FormulaC15H15IO
Molecular Weight338.19 g/mol
Exact Mass338.02
IUPAC Name1-(3-iodophenyl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cccc(I)c2)cc1
InChIInChI=1S/C15H15IO/c1-11-5-7-12(8-6-11)9-15(17)13-3-2-4-14(16)10-13/h2-8,10,15,17H,9H2,1H3
InChIKeyLEUNKARBWXHQMH-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.88
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-(4-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017730
1-[3-(difluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
CID 115527785
2-chloro-1-(3-iodophenyl)ethanol
CID 18938569
1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)ethanol
CID 114521316
1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803162
1-(3-iodophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828653
1-(3-iodophenyl)-2-isocyanoethanol
CID 3312810
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
[2-(4-ethylphenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105287837
N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide
CID 163970431
methyl 4-[2-[[2-hydroxy-2-(3-iodophenyl)ethyl]amino]propyl]benzoate
CID 44522721
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-(3-iodophenyl)-2-(4-methylphenyl)ethanol (CID 63017729) is 1-(3-iodophenyl)-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-iodophenyl)-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(3-iodophenyl)-2-(4-methylphenyl)ethanol is Cc1ccc(CC(O)c2cccc(I)c2)cc1.
What is the InChIKey of 1-(3-iodophenyl)-2-(4-methylphenyl)ethanol?
The InChIKey is LEUNKARBWXHQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO/c1-11-5-7-12(8-6-11)9-15(17)13-3-2-4-14(16)10-13/h2-8,10,15,17H,9H2,1H3.
What are the key properties of 1-(3-iodophenyl)-2-(4-methylphenyl)ethanol?
1-(3-iodophenyl)-2-(4-methylphenyl)ethanol has a molecular weight of 338.19 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 63017729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).