1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol

C6H12Cl2O2 — CID 174498217

IUPAC1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol
SMILESCC(CCl)OC(Cl)C(C)O
InChIInChI=1S/C6H12Cl2O2/c1-4(3-7)10-6(8)5(2)9/h4-6,9H,3H2,1-2H3
InChIKeySZCVJEKRWSMEAN-UHFFFAOYSA-N
MW187.07 g/mol
LogP1.58
Rot. Bonds4

About 1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol

1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol (PubChem CID 174498217) has the molecular formula C6H12Cl2O2 and a molecular weight of 187.07 g/mol. Its IUPAC name is 1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol
PubChem CID174498217
Molecular FormulaC6H12Cl2O2
Molecular Weight187.07 g/mol
Exact Mass186.02
IUPAC Name1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol
SMILESCC(CCl)OC(Cl)C(C)O
InChIInChI=1S/C6H12Cl2O2/c1-4(3-7)10-6(8)5(2)9/h4-6,9H,3H2,1-2H3
InChIKeySZCVJEKRWSMEAN-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane
CID 6931072
1-chloro-2-methylpropane;methanol
CID 88619830
1,2-dichloropropane;titanium
CID 88762967
4-chloro-3-methylbutan-2-ol
CID 13204328
1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 101356473
tris[(2R)-1-chloropropan-2-yl] phosphate
CID 91827061
1-chloropropan-2-yloxysilane
CID 173192106
1-chloro-2-sulfanyloxypropane
CID 169091093
1-chloropropan-2-yl 2-fluoroacetate
CID 55303373
(1S)-1-chloropropane-1,2-diol
CID 57125002
1-chloropropan-2-yl 2-chloropropyl hydrogen phosphate
CID 169434590
(2S)-1-chloro-4-methylpentan-2-ol
CID 641049

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol (CID 174498217) is 1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol is CC(CCl)OC(Cl)C(C)O.
What is the InChIKey of 1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol?
The InChIKey is SZCVJEKRWSMEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O2/c1-4(3-7)10-6(8)5(2)9/h4-6,9H,3H2,1-2H3.
What are the key properties of 1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol?
1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol has a molecular weight of 187.07 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(1-chloropropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 174498217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).