1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol

C17H14F2O2 — CID 114724299

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2cc3cc(F)ccc3o2)cc1F
InChIInChI=1S/C17H14F2O2/c1-10-3-4-12(9-14(10)19)17(2,20)16-8-11-7-13(18)5-6-15(11)21-16/h3-9,20H,1-2H3
InChIKeySCTGSMUGYQBGLQ-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.28
Rot. Bonds2

About 1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol

1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol (PubChem CID 114724299) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
PubChem CID114724299
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2cc3cc(F)ccc3o2)cc1F
InChIInChI=1S/C17H14F2O2/c1-10-3-4-12(9-14(10)19)17(2,20)16-8-11-7-13(18)5-6-15(11)21-16/h3-9,20H,1-2H3
InChIKeySCTGSMUGYQBGLQ-UHFFFAOYSA-N
XLogP4.28
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol
CID 114724291
1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
CID 114722955
2-(5-fluoro-1-benzofuran-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832934
1-(5-chloro-1-benzofuran-2-yl)-1-(3-methylphenyl)ethanol
CID 114722975
3-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735490
1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114723015
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol
CID 114724338
4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733754
4-[1-hydroxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]benzonitrile
CID 114724520
1-(3,4-dimethylphenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79692579

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol (CID 114724299) is 1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol is Cc1ccc(C(C)(O)c2cc3cc(F)ccc3o2)cc1F.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol?
The InChIKey is SCTGSMUGYQBGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c1-10-3-4-12(9-14(10)19)17(2,20)16-8-11-7-13(18)5-6-15(11)21-16/h3-9,20H,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol?
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol has a molecular weight of 288.29 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 114724299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).