2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol

C10H11Cl2FO2 — CID 164892826

IUPAC2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol
SMILESCCOc1ccc(F)c(C(O)C(Cl)Cl)c1
InChIInChI=1S/C10H11Cl2FO2/c1-2-15-6-3-4-8(13)7(5-6)9(14)10(11)12/h3-5,9-10,14H,2H2,1H3
InChIKeyKKWALCYXYQCWAO-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.06
Rot. Bonds4

About 2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol

2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol (PubChem CID 164892826) has the molecular formula C10H11Cl2FO2 and a molecular weight of 253.10 g/mol. Its IUPAC name is 2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol
PubChem CID164892826
Molecular FormulaC10H11Cl2FO2
Molecular Weight253.10 g/mol
Exact Mass252.01
IUPAC Name2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol
SMILESCCOc1ccc(F)c(C(O)C(Cl)Cl)c1
InChIInChI=1S/C10H11Cl2FO2/c1-2-15-6-3-4-8(13)7(5-6)9(14)10(11)12/h3-5,9-10,14H,2H2,1H3
InChIKeyKKWALCYXYQCWAO-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.06
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

1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol
CID 170818159
1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171366377
4-bromo-1-(4-ethoxy-2-fluorophenyl)butane-1,2-diol
CID 171892326
ethyl 3-(2,5-difluorophenyl)-2-fluoro-3-hydroxypropanoate
CID 79366836
1-(5-ethoxy-2-fluorophenyl)-3-methylbutan-1-one
CID 83988127
3-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170828896
methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
CID 117328401
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
5-[chloro-(4-ethoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63429318
chloro-(3-ethoxyphenyl)methanol
CID 141156919
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol
CID 167967220

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol (CID 164892826) is 2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol is CCOc1ccc(F)c(C(O)C(Cl)Cl)c1.
What is the InChIKey of 2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol?
The InChIKey is KKWALCYXYQCWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FO2/c1-2-15-6-3-4-8(13)7(5-6)9(14)10(11)12/h3-5,9-10,14H,2H2,1H3.
What are the key properties of 2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol?
2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol has a molecular weight of 253.10 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol is sourced from PubChem (CID 164892826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).