2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol

C17H14ClFO2 — CID 105076751

IUPAC2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1c(C(O)Cc2cccc(Cl)c2)oc2ccc(F)cc12
InChIInChI=1S/C17H14ClFO2/c1-10-14-9-13(19)5-6-16(14)21-17(10)15(20)8-11-3-2-4-12(18)7-11/h2-7,9,15,20H,8H2,1H3
InChIKeyVPRKVFRMVXYLSL-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.81
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol

2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 105076751) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
PubChem CID105076751
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1c(C(O)Cc2cccc(Cl)c2)oc2ccc(F)cc12
InChIInChI=1S/C17H14ClFO2/c1-10-14-9-13(19)5-6-16(14)21-17(10)15(20)8-11-3-2-4-12(18)7-11/h2-7,9,15,20H,8H2,1H3
InChIKeyVPRKVFRMVXYLSL-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

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078061
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(furan-2-yl)ethanol
CID 105122935
2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105105511
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-en-1-ol
CID 105081653
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62387586
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
CID 105127366
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol
CID 105082433
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065682
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
CID 105111899
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol (CID 105076751) is 2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol is Cc1c(C(O)Cc2cccc(Cl)c2)oc2ccc(F)cc12.
What is the InChIKey of 2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is VPRKVFRMVXYLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c1-10-14-9-13(19)5-6-16(14)21-17(10)15(20)8-11-3-2-4-12(18)7-11/h2-7,9,15,20H,8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
2-(3-chlorophenyl)-1-(5-fluoro-3-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-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 105076751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).