2-chloro-1-(2-chloropropoxy)propan-1-ol

C6H12Cl2O2 — CID 174830706

IUPAC2-chloro-1-(2-chloropropoxy)propan-1-ol
SMILESCC(Cl)COC(O)C(C)Cl
InChIInChI=1S/C6H12Cl2O2/c1-4(7)3-10-6(9)5(2)8/h4-6,9H,3H2,1-2H3
InChIKeyVIHPXMDPMQJPJC-UHFFFAOYSA-N
MW187.07 g/mol
LogP1.58
Rot. Bonds4

About 2-chloro-1-(2-chloropropoxy)propan-1-ol

2-chloro-1-(2-chloropropoxy)propan-1-ol (PubChem CID 174830706) has the molecular formula C6H12Cl2O2 and a molecular weight of 187.07 g/mol. Its IUPAC name is 2-chloro-1-(2-chloropropoxy)propan-1-ol.

Molecular Properties

Compound Name2-chloro-1-(2-chloropropoxy)propan-1-ol
PubChem CID174830706
Molecular FormulaC6H12Cl2O2
Molecular Weight187.07 g/mol
Exact Mass186.02
IUPAC Name2-chloro-1-(2-chloropropoxy)propan-1-ol
SMILESCC(Cl)COC(O)C(C)Cl
InChIInChI=1S/C6H12Cl2O2/c1-4(7)3-10-6(9)5(2)8/h4-6,9H,3H2,1-2H3
InChIKeyVIHPXMDPMQJPJC-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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloropropoxy)propan-1-ol?
The IUPAC name of 2-chloro-1-(2-chloropropoxy)propan-1-ol (CID 174830706) is 2-chloro-1-(2-chloropropoxy)propan-1-ol.
What is the SMILES notation for 2-chloro-1-(2-chloropropoxy)propan-1-ol?
The canonical SMILES for 2-chloro-1-(2-chloropropoxy)propan-1-ol is CC(Cl)COC(O)C(C)Cl.
What is the InChIKey of 2-chloro-1-(2-chloropropoxy)propan-1-ol?
The InChIKey is VIHPXMDPMQJPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O2/c1-4(7)3-10-6(9)5(2)8/h4-6,9H,3H2,1-2H3.
What are the key properties of 2-chloro-1-(2-chloropropoxy)propan-1-ol?
2-chloro-1-(2-chloropropoxy)propan-1-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 2-chloro-1-(2-chloropropoxy)propan-1-ol is sourced from PubChem (CID 174830706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).