2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol

C14H11Cl2IO — CID 115802046

IUPAC2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1ccc(I)cc1
InChIInChI=1S/C14H11Cl2IO/c15-11-3-6-13(16)10(7-11)8-14(18)9-1-4-12(17)5-2-9/h1-7,14,18H,8H2
InChIKeyKGRGRLXIBXWLGY-UHFFFAOYSA-N
MW393.05 g/mol
LogP4.87
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol

2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol (PubChem CID 115802046) has the molecular formula C14H11Cl2IO and a molecular weight of 393.05 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol
PubChem CID115802046
Molecular FormulaC14H11Cl2IO
Molecular Weight393.05 g/mol
Exact Mass391.92
IUPAC Name2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1ccc(I)cc1
InChIInChI=1S/C14H11Cl2IO/c15-11-3-6-13(16)10(7-11)8-14(18)9-1-4-12(17)5-2-9/h1-7,14,18H,8H2
InChIKeyKGRGRLXIBXWLGY-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.05
LogP ≤ 54.87
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-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115566546
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 115863090
2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol
CID 65317190
2-(2,5-dichlorophenyl)-1-pyridazin-4-ylethanol
CID 105100348
2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 65317239
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801912
1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65317285
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
CID 103047540

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol (CID 115802046) is 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)c1ccc(I)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol?
The InChIKey is KGRGRLXIBXWLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2IO/c15-11-3-6-13(16)10(7-11)8-14(18)9-1-4-12(17)5-2-9/h1-7,14,18H,8H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol?
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol has a molecular weight of 393.05 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol is sourced from PubChem (CID 115802046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).