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

C4H8Cl2O2 — CID 154734567

IUPAC2-chloro-3-(chloromethoxy)propan-1-ol
SMILESOCC(Cl)COCCl
InChIInChI=1S/C4H8Cl2O2/c5-3-8-2-4(6)1-7/h4,7H,1-3H2
InChIKeyFCRYCISXLJLHOI-UHFFFAOYSA-N
MW159.01 g/mol
LogP0.80
Rot. Bonds4

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

2-chloro-3-(chloromethoxy)propan-1-ol (PubChem CID 154734567) has the molecular formula C4H8Cl2O2 and a molecular weight of 159.01 g/mol. Its IUPAC name is 2-chloro-3-(chloromethoxy)propan-1-ol.

Molecular Properties

Compound Name2-chloro-3-(chloromethoxy)propan-1-ol
PubChem CID154734567
Molecular FormulaC4H8Cl2O2
Molecular Weight159.01 g/mol
Exact Mass157.99
IUPAC Name2-chloro-3-(chloromethoxy)propan-1-ol
SMILESOCC(Cl)COCCl
InChIInChI=1S/C4H8Cl2O2/c5-3-8-2-4(6)1-7/h4,7H,1-3H2
InChIKeyFCRYCISXLJLHOI-UHFFFAOYSA-N
XLogP0.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.01
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-chloro-3-(chloromethoxy)propan-1-ol?
The IUPAC name of 2-chloro-3-(chloromethoxy)propan-1-ol (CID 154734567) is 2-chloro-3-(chloromethoxy)propan-1-ol.
What is the SMILES notation for 2-chloro-3-(chloromethoxy)propan-1-ol?
The canonical SMILES for 2-chloro-3-(chloromethoxy)propan-1-ol is OCC(Cl)COCCl.
What is the InChIKey of 2-chloro-3-(chloromethoxy)propan-1-ol?
The InChIKey is FCRYCISXLJLHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O2/c5-3-8-2-4(6)1-7/h4,7H,1-3H2.
What are the key properties of 2-chloro-3-(chloromethoxy)propan-1-ol?
2-chloro-3-(chloromethoxy)propan-1-ol has a molecular weight of 159.01 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethoxy)propan-1-ol is sourced from PubChem (CID 154734567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).