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

C8H8ClIO — CID 18938569

IUPAC2-chloro-1-(3-iodophenyl)ethanol
SMILESOC(CCl)c1cccc(I)c1
InChIInChI=1S/C8H8ClIO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,11H,5H2
InChIKeyUFKLABCTYSWZAK-UHFFFAOYSA-N
MW282.51 g/mol
LogP2.56
Rot. Bonds2

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

2-chloro-1-(3-iodophenyl)ethanol (PubChem CID 18938569) has the molecular formula C8H8ClIO and a molecular weight of 282.51 g/mol. Its IUPAC name is 2-chloro-1-(3-iodophenyl)ethanol.

Molecular Properties

Compound Name2-chloro-1-(3-iodophenyl)ethanol
PubChem CID18938569
Molecular FormulaC8H8ClIO
Molecular Weight282.51 g/mol
Exact Mass281.93
IUPAC Name2-chloro-1-(3-iodophenyl)ethanol
SMILESOC(CCl)c1cccc(I)c1
InChIInChI=1S/C8H8ClIO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,11H,5H2
InChIKeyUFKLABCTYSWZAK-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
1-(3-iodophenyl)-2-isocyanoethanol
CID 3312810
(1S)-2-chloro-1-phenylethanol
CID 643323
1-(3-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017729
1-(3-iodophenyl)-2-phenylselanylethanol
CID 139217896
(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
CID 92857425
1-(difluoromethyl)-3-iodobenzene
CID 46311736
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
1-(3-iodophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828653
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol
CID 115786724
1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-iodophenyl)ethanol?
The IUPAC name of 2-chloro-1-(3-iodophenyl)ethanol (CID 18938569) is 2-chloro-1-(3-iodophenyl)ethanol.
What is the SMILES notation for 2-chloro-1-(3-iodophenyl)ethanol?
The canonical SMILES for 2-chloro-1-(3-iodophenyl)ethanol is OC(CCl)c1cccc(I)c1.
What is the InChIKey of 2-chloro-1-(3-iodophenyl)ethanol?
The InChIKey is UFKLABCTYSWZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClIO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,11H,5H2.
What are the key properties of 2-chloro-1-(3-iodophenyl)ethanol?
2-chloro-1-(3-iodophenyl)ethanol has a molecular weight of 282.51 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-iodophenyl)ethanol is sourced from PubChem (CID 18938569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).