1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol

C14H11Cl2IO — CID 103216621

IUPAC1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H11Cl2IO/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-13(17)12(16)8-10/h1-6,8,14,18H,7H2
InChIKeyVKFGPGUBWYWGOM-UHFFFAOYSA-N
MW393.05 g/mol
LogP4.87
Rot. Bonds3

About 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol

1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol (PubChem CID 103216621) has the molecular formula C14H11Cl2IO and a molecular weight of 393.05 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
PubChem CID103216621
Molecular FormulaC14H11Cl2IO
Molecular Weight393.05 g/mol
Exact Mass391.92
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H11Cl2IO/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-13(17)12(16)8-10/h1-6,8,14,18H,7H2
InChIKeyVKFGPGUBWYWGOM-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

2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
CID 103214534
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol
CID 103216689
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216677
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63519476
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene
CID 103210535
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine
CID 103216088
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065787

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol (CID 103216621) is 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol?
The InChIKey is VKFGPGUBWYWGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2IO/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-13(17)12(16)8-10/h1-6,8,14,18H,7H2.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol?
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)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 1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 103216621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).