2-(1-chloropropoxy)ethanol

C5H11ClO2 — CID 19070492

IUPAC2-(1-chloropropoxy)ethanol
SMILESCCC(Cl)OCCO
InChIInChI=1S/C5H11ClO2/c1-2-5(6)8-4-3-7/h5,7H,2-4H2,1H3
InChIKeyJUFBJQVWNKPESQ-UHFFFAOYSA-N
MW138.59 g/mol
LogP0.97
Rot. Bonds4

About 2-(1-chloropropoxy)ethanol

2-(1-chloropropoxy)ethanol (PubChem CID 19070492) has the molecular formula C5H11ClO2 and a molecular weight of 138.59 g/mol. Its IUPAC name is 2-(1-chloropropoxy)ethanol.

Molecular Properties

Compound Name2-(1-chloropropoxy)ethanol
PubChem CID19070492
Molecular FormulaC5H11ClO2
Molecular Weight138.59 g/mol
Exact Mass138.04
IUPAC Name2-(1-chloropropoxy)ethanol
SMILESCCC(Cl)OCCO
InChIInChI=1S/C5H11ClO2/c1-2-5(6)8-4-3-7/h5,7H,2-4H2,1H3
InChIKeyJUFBJQVWNKPESQ-UHFFFAOYSA-N
XLogP0.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.59
LogP ≤ 50.97
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

2-[1-chloro-2-[2-[2-[2-chloro-2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 146680183
1-(1-chloropropoxy)icosane
CID 139652082
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-[(2S)-3-methylpentan-2-yl]oxyethanol
CID 91428626
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
chloroform;2-ethoxyethanol
CID 118659201
1-chloro-1-(1-chloropropoxy)propane
CID 20501667
2-(1-trimethylsilyloxypropoxy)ethanol
CID 57000148
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-(3,7-dimethyloctan-4-yloxy)ethanol
CID 142712484
2-(1,2-dichloropropoxy)ethanol;2,2,2-trifluoroethanol
CID 22359614

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloropropoxy)ethanol?
The IUPAC name of 2-(1-chloropropoxy)ethanol (CID 19070492) is 2-(1-chloropropoxy)ethanol.
What is the SMILES notation for 2-(1-chloropropoxy)ethanol?
The canonical SMILES for 2-(1-chloropropoxy)ethanol is CCC(Cl)OCCO.
What is the InChIKey of 2-(1-chloropropoxy)ethanol?
The InChIKey is JUFBJQVWNKPESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2/c1-2-5(6)8-4-3-7/h5,7H,2-4H2,1H3.
What are the key properties of 2-(1-chloropropoxy)ethanol?
2-(1-chloropropoxy)ethanol has a molecular weight of 138.59 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloropropoxy)ethanol is sourced from PubChem (CID 19070492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).