2-chloro-3-methoxypropan-1-ol

C4H9ClO2 — CID 14269119

IUPAC2-chloro-3-methoxypropan-1-ol
SMILESCOCC(Cl)CO
InChIInChI=1S/C4H9ClO2/c1-7-3-4(5)2-6/h4,6H,2-3H2,1H3
InChIKeyQOZPRKWNRBCPLC-UHFFFAOYSA-N
MW124.57 g/mol
LogP0.23
Rot. Bonds3

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

2-chloro-3-methoxypropan-1-ol (PubChem CID 14269119) has the molecular formula C4H9ClO2 and a molecular weight of 124.57 g/mol. Its IUPAC name is 2-chloro-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-chloro-3-methoxypropan-1-ol
PubChem CID14269119
Molecular FormulaC4H9ClO2
Molecular Weight124.57 g/mol
Exact Mass124.03
IUPAC Name2-chloro-3-methoxypropan-1-ol
SMILESCOCC(Cl)CO
InChIInChI=1S/C4H9ClO2/c1-7-3-4(5)2-6/h4,6H,2-3H2,1H3
InChIKeyQOZPRKWNRBCPLC-UHFFFAOYSA-N
XLogP0.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.57
LogP ≤ 50.23
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-methoxypropan-1-ol?
The IUPAC name of 2-chloro-3-methoxypropan-1-ol (CID 14269119) is 2-chloro-3-methoxypropan-1-ol.
What is the SMILES notation for 2-chloro-3-methoxypropan-1-ol?
The canonical SMILES for 2-chloro-3-methoxypropan-1-ol is COCC(Cl)CO.
What is the InChIKey of 2-chloro-3-methoxypropan-1-ol?
The InChIKey is QOZPRKWNRBCPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO2/c1-7-3-4(5)2-6/h4,6H,2-3H2,1H3.
What are the key properties of 2-chloro-3-methoxypropan-1-ol?
2-chloro-3-methoxypropan-1-ol has a molecular weight of 124.57 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxypropan-1-ol is sourced from PubChem (CID 14269119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).