2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol

C17H14ClFO2 — CID 103053486

IUPAC2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(O)Cc3cc(Cl)ccc3F)cc2c1
InChIInChI=1S/C17H14ClFO2/c1-10-2-5-16-12(6-10)9-17(21-16)15(20)8-11-7-13(18)3-4-14(11)19/h2-7,9,15,20H,8H2,1H3
InChIKeyJLUCYNJKLALLGO-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.81
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol

2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 103053486) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
PubChem CID103053486
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(O)Cc3cc(Cl)ccc3F)cc2c1
InChIInChI=1S/C17H14ClFO2/c1-10-2-5-16-12(6-10)9-17(21-16)15(20)8-11-7-13(18)3-4-14(11)19/h2-7,9,15,20H,8H2,1H3
InChIKeyJLUCYNJKLALLGO-UHFFFAOYSA-N
XLogP4.81
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016559
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726793
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-fluorophenyl)ethanol
CID 114726361
2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran
CID 63543684

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol (CID 103053486) is 2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol is Cc1ccc2oc(C(O)Cc3cc(Cl)ccc3F)cc2c1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is JLUCYNJKLALLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c1-10-2-5-16-12(6-10)9-17(21-16)15(20)8-11-7-13(18)3-4-14(11)19/h2-7,9,15,20H,8H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 304.75 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 103053486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).