2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol

C14H14Cl2O2 — CID 114103870

IUPAC2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
SMILESCCc1occc1C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2O2/c1-2-14-10(5-6-18-14)13(17)8-9-3-4-11(15)12(16)7-9/h3-7,13,17H,2,8H2,1H3
InChIKeyWNYDKCLLTKFQAP-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.42
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol

2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol (PubChem CID 114103870) has the molecular formula C14H14Cl2O2 and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
PubChem CID114103870
Molecular FormulaC14H14Cl2O2
Molecular Weight285.17 g/mol
Exact Mass284.04
IUPAC Name2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
SMILESCCc1occc1C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2O2/c1-2-14-10(5-6-18-14)13(17)8-9-3-4-11(15)12(16)7-9/h3-7,13,17H,2,8H2,1H3
InChIKeyWNYDKCLLTKFQAP-UHFFFAOYSA-N
XLogP4.42
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
CID 114104601
2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
CID 106694105
2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
CID 106689813
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 112670375
3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran
CID 114103882
(2-ethylfuran-3-yl)-(4-ethylphenyl)methanol
CID 114103668
2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
CID 115482625
1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894521
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol (CID 114103870) is 2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol is CCc1occc1C(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol?
The InChIKey is WNYDKCLLTKFQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O2/c1-2-14-10(5-6-18-14)13(17)8-9-3-4-11(15)12(16)7-9/h3-7,13,17H,2,8H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol?
2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol has a molecular weight of 285.17 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol is sourced from PubChem (CID 114103870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).