2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol

C17H14ClFO2 — CID 63016559

IUPAC2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(O)Cc3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C17H14ClFO2/c1-10-5-6-16-11(7-10)8-17(21-16)15(20)9-12-13(18)3-2-4-14(12)19/h2-8,15,20H,9H2,1H3
InChIKeyYYTNSXFUDPNZRL-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.81
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 63016559) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
PubChem CID63016559
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1ccc2oc(C(O)Cc3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C17H14ClFO2/c1-10-5-6-16-11(7-10)8-17(21-16)15(20)9-12-13(18)3-2-4-14(12)19/h2-8,15,20H,9H2,1H3
InChIKeyYYTNSXFUDPNZRL-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-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 103053486
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
2-(2-chloro-6-fluorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319210
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726793
[1-(2-bromo-4-methylphenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105289027
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62388239

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol (CID 63016559) is 2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol is Cc1ccc2oc(C(O)Cc3c(F)cccc3Cl)cc2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is YYTNSXFUDPNZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c1-10-5-6-16-11(7-10)8-17(21-16)15(20)9-12-13(18)3-2-4-14(12)19/h2-8,15,20H,9H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol?
2-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 63016559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).