2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol

C10H11Cl3O2 — CID 23460388

IUPAC2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
SMILESCCOc1ccccc1C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H11Cl3O2/c1-2-15-8-6-4-3-5-7(8)9(14)10(11,12)13/h3-6,9,14H,2H2,1H3
InChIKeyIRTNSOSDRQAONU-UHFFFAOYSA-N
MW269.56 g/mol
LogP3.49
Rot. Bonds3

About 2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol

2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol (PubChem CID 23460388) has the molecular formula C10H11Cl3O2 and a molecular weight of 269.56 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
PubChem CID23460388
Molecular FormulaC10H11Cl3O2
Molecular Weight269.56 g/mol
Exact Mass267.98
IUPAC Name2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
SMILESCCOc1ccccc1C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H11Cl3O2/c1-2-15-8-6-4-3-5-7(8)9(14)10(11,12)13/h3-6,9,14H,2H2,1H3
InChIKeyIRTNSOSDRQAONU-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.56
LogP ≤ 53.49
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-(2-butoxyphenyl)-2,2,2-trichloroethanol
CID 119091928
2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
CID 107140033
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62396996
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
(2-ethoxyphenyl)-(2-ethylphenyl)methanol
CID 63900742
1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol?
The IUPAC name of 2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol (CID 23460388) is 2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol?
The canonical SMILES for 2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol is CCOc1ccccc1C(O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol?
The InChIKey is IRTNSOSDRQAONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3O2/c1-2-15-8-6-4-3-5-7(8)9(14)10(11,12)13/h3-6,9,14H,2H2,1H3.
What are the key properties of 2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol?
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol has a molecular weight of 269.56 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol is sourced from PubChem (CID 23460388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).