(2R)-2-(2,4-dichlorophenyl)-2-iodoethanol

C8H7Cl2IO — CID 70228601

IUPAC(2R)-2-(2,4-dichlorophenyl)-2-iodoethanol
SMILESOC[C@H](I)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2IO/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8,12H,4H2/t8-/m0/s1
InChIKeyHXJHHMIZAFIDCL-QMMMGPOBSA-N
MW316.95 g/mol
LogP3.46
Rot. Bonds2

About (2R)-2-(2,4-dichlorophenyl)-2-iodoethanol

(2R)-2-(2,4-dichlorophenyl)-2-iodoethanol (PubChem CID 70228601) has the molecular formula C8H7Cl2IO and a molecular weight of 316.95 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenyl)-2-iodoethanol.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenyl)-2-iodoethanol
PubChem CID70228601
Molecular FormulaC8H7Cl2IO
Molecular Weight316.95 g/mol
Exact Mass315.89
IUPAC Name(2R)-2-(2,4-dichlorophenyl)-2-iodoethanol
SMILESOC[C@H](I)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2IO/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8,12H,4H2/t8-/m0/s1
InChIKeyHXJHHMIZAFIDCL-QMMMGPOBSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.95
LogP ≤ 53.46
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

3-amino-2-(2,4-dichlorophenyl)propan-1-ol
CID 79684863
5-chloro-4-(2,4-dichlorophenyl)pentane-1,2,3-triol
CID 19763617
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanol
CID 70556653
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
CID 171232170
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209
2,4-dichloro-1-(1-isocyanoethyl)benzene
CID 3974508
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenyl)-2-iodoethanol?
The IUPAC name of (2R)-2-(2,4-dichlorophenyl)-2-iodoethanol (CID 70228601) is (2R)-2-(2,4-dichlorophenyl)-2-iodoethanol.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenyl)-2-iodoethanol?
The canonical SMILES for (2R)-2-(2,4-dichlorophenyl)-2-iodoethanol is OC[C@H](I)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-(2,4-dichlorophenyl)-2-iodoethanol?
The InChIKey is HXJHHMIZAFIDCL-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H7Cl2IO/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8,12H,4H2/t8-/m0/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenyl)-2-iodoethanol?
(2R)-2-(2,4-dichlorophenyl)-2-iodoethanol has a molecular weight of 316.95 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenyl)-2-iodoethanol is sourced from PubChem (CID 70228601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).