1-chloro-3-iodopropan-2-ol

C3H6ClIO — CID 10922054

IUPAC1-chloro-3-iodopropan-2-ol
SMILESOC(CCl)CI
InChIInChI=1S/C3H6ClIO/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKeyNNKLXTNMYBPXIB-UHFFFAOYSA-N
MW220.44 g/mol
LogP1.02
Rot. Bonds2

About 1-chloro-3-iodopropan-2-ol

1-chloro-3-iodopropan-2-ol (PubChem CID 10922054) has the molecular formula C3H6ClIO and a molecular weight of 220.44 g/mol. Its IUPAC name is 1-chloro-3-iodopropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-iodopropan-2-ol
PubChem CID10922054
Molecular FormulaC3H6ClIO
Molecular Weight220.44 g/mol
Exact Mass219.92
IUPAC Name1-chloro-3-iodopropan-2-ol
SMILESOC(CCl)CI
InChIInChI=1S/C3H6ClIO/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKeyNNKLXTNMYBPXIB-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.44
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodopropan-2-ol?
The IUPAC name of 1-chloro-3-iodopropan-2-ol (CID 10922054) is 1-chloro-3-iodopropan-2-ol.
What is the SMILES notation for 1-chloro-3-iodopropan-2-ol?
The canonical SMILES for 1-chloro-3-iodopropan-2-ol is OC(CCl)CI.
What is the InChIKey of 1-chloro-3-iodopropan-2-ol?
The InChIKey is NNKLXTNMYBPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClIO/c4-1-3(6)2-5/h3,6H,1-2H2.
What are the key properties of 1-chloro-3-iodopropan-2-ol?
1-chloro-3-iodopropan-2-ol has a molecular weight of 220.44 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodopropan-2-ol is sourced from PubChem (CID 10922054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).