3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol

C6H12Cl2O3 — CID 90003830

IUPAC3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol
SMILESOCC(CCl)OCC(O)CCl
InChIInChI=1S/C6H12Cl2O3/c7-1-5(10)4-11-6(2-8)3-9/h5-6,9-10H,1-4H2
InChIKeyIENYODJNGDDHAU-UHFFFAOYSA-N
MW203.06 g/mol
LogP0.20
Rot. Bonds6

About 3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol

3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol (PubChem CID 90003830) has the molecular formula C6H12Cl2O3 and a molecular weight of 203.06 g/mol. Its IUPAC name is 3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol.

Molecular Properties

Compound Name3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol
PubChem CID90003830
Molecular FormulaC6H12Cl2O3
Molecular Weight203.06 g/mol
Exact Mass202.02
IUPAC Name3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol
SMILESOCC(CCl)OCC(O)CCl
InChIInChI=1S/C6H12Cl2O3/c7-1-5(10)4-11-6(2-8)3-9/h5-6,9-10H,1-4H2
InChIKeyIENYODJNGDDHAU-UHFFFAOYSA-N
XLogP0.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.06
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol?
The IUPAC name of 3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol (CID 90003830) is 3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol.
What is the SMILES notation for 3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol?
The canonical SMILES for 3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol is OCC(CCl)OCC(O)CCl.
What is the InChIKey of 3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol?
The InChIKey is IENYODJNGDDHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O3/c7-1-5(10)4-11-6(2-8)3-9/h5-6,9-10H,1-4H2.
What are the key properties of 3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol?
3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol has a molecular weight of 203.06 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol is sourced from PubChem (CID 90003830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).