1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol

C16H12ClFO2 — CID 103038983

IUPAC1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H12ClFO2/c17-12-7-10(5-6-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h1-7,9,14,19H,8H2
InChIKeyQTKGIIAUBHUOOK-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.50
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol

1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol (PubChem CID 103038983) has the molecular formula C16H12ClFO2 and a molecular weight of 290.72 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol
PubChem CID103038983
Molecular FormulaC16H12ClFO2
Molecular Weight290.72 g/mol
Exact Mass290.05
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H12ClFO2/c17-12-7-10(5-6-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h1-7,9,14,19H,8H2
InChIKeyQTKGIIAUBHUOOK-UHFFFAOYSA-N
XLogP4.50
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
CID 65477865
2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
CID 106694105
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894433
2-(3-chloro-4-fluorophenyl)-1-isoquinolin-1-ylethanol
CID 103039584
1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103043527
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740534
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol (CID 103038983) is 1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol is OC(Cc1ccc(F)c(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol?
The InChIKey is QTKGIIAUBHUOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO2/c17-12-7-10(5-6-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h1-7,9,14,19H,8H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol?
1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol has a molecular weight of 290.72 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 103038983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).