2-chloroethanol

C2H5ClO — CID 34

IUPAC2-chloroethanol
SMILESOCCCl
InChIInChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
InChIKeySZIFAVKTNFCBPC-UHFFFAOYSA-N
MW80.51 g/mol
LogP0.22
Rot. Bonds1

About 2-chloroethanol

2-chloroethanol (PubChem CID 34) has the molecular formula C2H5ClO and a molecular weight of 80.51 g/mol. Its IUPAC name is 2-chloroethanol.

Molecular Properties

Compound Name2-chloroethanol
PubChem CID34
Molecular FormulaC2H5ClO
Molecular Weight80.51 g/mol
Exact Mass80.00
IUPAC Name2-chloroethanol
SMILESOCCCl
InChIInChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
InChIKeySZIFAVKTNFCBPC-UHFFFAOYSA-N
XLogP0.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.51
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Propylene Chlorohydrin
CID 6566
2,2-Dichloroethanol
CID 11718
(S)-(+)-2-Chloro-1-propanol
CID 641045
1-Propanol, 2-chloro-, (2R)-
CID 181530
Ethanol, 1,2-dichloro-
CID 156449
2-Chloroethanol-1,1,2,2-d4
CID 16213274
2-Chloro-2-fluoroethan-1-ol
CID 18517415
1-Chloroethan-1-ol
CID 12639035
Chloroethanol-water
CID 17867088
Ethylene glycol monochloride
CID 21102326
2-Hydroxyethylchloranium
CID 56997025
2-Chloroethanol-water
CID 129668439

Frequently Asked Questions

What is the IUPAC name of 2-chloroethanol?
The IUPAC name of 2-chloroethanol (CID 34) is 2-chloroethanol.
What is the SMILES notation for 2-chloroethanol?
The canonical SMILES for 2-chloroethanol is OCCCl.
What is the InChIKey of 2-chloroethanol?
The InChIKey is SZIFAVKTNFCBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2.
What are the key properties of 2-chloroethanol?
2-chloroethanol has a molecular weight of 80.51 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethanol is sourced from PubChem (CID 34), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).