1,2-dichloro-1-ethoxyethanol

C4H8Cl2O2 — CID 141026813

IUPAC1,2-dichloro-1-ethoxyethanol
SMILESCCOC(O)(Cl)CCl
InChIInChI=1S/C4H8Cl2O2/c1-2-8-4(6,7)3-5/h7H,2-3H2,1H3
InChIKeyILZGYFGHECUQDP-UHFFFAOYSA-N
MW159.01 g/mol
LogP1.15
Rot. Bonds3

About 1,2-dichloro-1-ethoxyethanol

1,2-dichloro-1-ethoxyethanol (PubChem CID 141026813) has the molecular formula C4H8Cl2O2 and a molecular weight of 159.01 g/mol. Its IUPAC name is 1,2-dichloro-1-ethoxyethanol.

Molecular Properties

Compound Name1,2-dichloro-1-ethoxyethanol
PubChem CID141026813
Molecular FormulaC4H8Cl2O2
Molecular Weight159.01 g/mol
Exact Mass157.99
IUPAC Name1,2-dichloro-1-ethoxyethanol
SMILESCCOC(O)(Cl)CCl
InChIInChI=1S/C4H8Cl2O2/c1-2-8-4(6,7)3-5/h7H,2-3H2,1H3
InChIKeyILZGYFGHECUQDP-UHFFFAOYSA-N
XLogP1.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.01
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2,2-diethoxybutane
CID 23262186
1,1,1,2,2-pentachloro-2-ethoxyethane
CID 90965191
1,1,2-trichloroethanol
CID 14671512
1,1,2-trichloroethanol
CID 176909401
2,2-dichloro-2-ethoxyacetic acid
CID 87516880
1-chloro-2,2-diethoxypentane
CID 174444094
1,1-dichloro-2-ethoxypropan-2-ol
CID 141478859
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
1-chloro-2-ethoxy-3-iodo-2-methylpropane
CID 114771911
1-amino-1-ethoxy-2-ethylbutan-1-ol
CID 18005930
1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane
CID 23235124
3-chloro-1,1,1-triethoxypropane
CID 141390220

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1-ethoxyethanol?
The IUPAC name of 1,2-dichloro-1-ethoxyethanol (CID 141026813) is 1,2-dichloro-1-ethoxyethanol.
What is the SMILES notation for 1,2-dichloro-1-ethoxyethanol?
The canonical SMILES for 1,2-dichloro-1-ethoxyethanol is CCOC(O)(Cl)CCl.
What is the InChIKey of 1,2-dichloro-1-ethoxyethanol?
The InChIKey is ILZGYFGHECUQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O2/c1-2-8-4(6,7)3-5/h7H,2-3H2,1H3.
What are the key properties of 1,2-dichloro-1-ethoxyethanol?
1,2-dichloro-1-ethoxyethanol has a molecular weight of 159.01 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1-ethoxyethanol is sourced from PubChem (CID 141026813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).