1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol

C14H10ClF2IO — CID 103216689

IUPAC1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H10ClF2IO/c15-11-5-9(2-4-13(11)18)14(19)6-8-1-3-10(16)7-12(8)17/h1-5,7,14,19H,6H2
InChIKeyLPULAERZNIDOOK-UHFFFAOYSA-N
MW394.59 g/mol
LogP4.50
Rot. Bonds3

About 1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol

1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol (PubChem CID 103216689) has the molecular formula C14H10ClF2IO and a molecular weight of 394.59 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol
PubChem CID103216689
Molecular FormulaC14H10ClF2IO
Molecular Weight394.59 g/mol
Exact Mass393.94
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H10ClF2IO/c15-11-5-9(2-4-13(11)18)14(19)6-8-1-3-10(16)7-12(8)17/h1-5,7,14,19H,6H2
InChIKeyLPULAERZNIDOOK-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 54.50
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-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 103214822
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 81447982
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
[1-(3-chloro-4-iodophenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 103217826
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 63894517
1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 114982155
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216603

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol (CID 103216689) is 1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol is OC(Cc1ccc(F)cc1F)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol?
The InChIKey is LPULAERZNIDOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2IO/c15-11-5-9(2-4-13(11)18)14(19)6-8-1-3-10(16)7-12(8)17/h1-5,7,14,19H,6H2.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol?
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol has a molecular weight of 394.59 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 103216689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).