3-chloro-2-methoxypropan-1-ol;ethane

C6H15ClO2 — CID 153379962

IUPAC3-chloro-2-methoxypropan-1-ol;ethane
SMILESCC.COC(CO)CCl
InChIInChI=1S/C4H9ClO2.C2H6/c1-7-4(2-5)3-6;1-2/h4,6H,2-3H2,1H3;1-2H3
InChIKeyHGYFDINSBKRENT-UHFFFAOYSA-N
MW154.64 g/mol
LogP1.26
Rot. Bonds3

About 3-chloro-2-methoxypropan-1-ol;ethane

3-chloro-2-methoxypropan-1-ol;ethane (PubChem CID 153379962) has the molecular formula C6H15ClO2 and a molecular weight of 154.64 g/mol. Its IUPAC name is 3-chloro-2-methoxypropan-1-ol;ethane.

Molecular Properties

Compound Name3-chloro-2-methoxypropan-1-ol;ethane
PubChem CID153379962
Molecular FormulaC6H15ClO2
Molecular Weight154.64 g/mol
Exact Mass154.08
IUPAC Name3-chloro-2-methoxypropan-1-ol;ethane
SMILESCC.COC(CO)CCl
InChIInChI=1S/C4H9ClO2.C2H6/c1-7-4(2-5)3-6;1-2/h4,6H,2-3H2,1H3;1-2H3
InChIKeyHGYFDINSBKRENT-UHFFFAOYSA-N
XLogP1.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-2-methoxypropan-1-ol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxypropan-1-ol;ethane?
The IUPAC name of 3-chloro-2-methoxypropan-1-ol;ethane (CID 153379962) is 3-chloro-2-methoxypropan-1-ol;ethane.
What is the SMILES notation for 3-chloro-2-methoxypropan-1-ol;ethane?
The canonical SMILES for 3-chloro-2-methoxypropan-1-ol;ethane is CC.COC(CO)CCl.
What is the InChIKey of 3-chloro-2-methoxypropan-1-ol;ethane?
The InChIKey is HGYFDINSBKRENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO2.C2H6/c1-7-4(2-5)3-6;1-2/h4,6H,2-3H2,1H3;1-2H3.
What are the key properties of 3-chloro-2-methoxypropan-1-ol;ethane?
3-chloro-2-methoxypropan-1-ol;ethane has a molecular weight of 154.64 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxypropan-1-ol;ethane is sourced from PubChem (CID 153379962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).