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

C18H17FO2 — CID 105078061

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C18H17FO2/c1-11-5-3-4-6-13(11)9-16(20)18-12(2)15-10-14(19)7-8-17(15)21-18/h3-8,10,16,20H,9H2,1-2H3
InChIKeyFGJLKKRRAAZQGT-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.46
Rot. Bonds3

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

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol (PubChem CID 105078061) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
PubChem CID105078061
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C18H17FO2/c1-11-5-3-4-6-13(11)9-16(20)18-12(2)15-10-14(19)7-8-17(15)21-18/h3-8,10,16,20H,9H2,1-2H3
InChIKeyFGJLKKRRAAZQGT-UHFFFAOYSA-N
XLogP4.46
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(furan-2-yl)ethanol
CID 105122935
2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105076751
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
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-(1-methyltriazol-4-yl)ethanol
CID 107065682
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
CID 105111899
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105112280
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464
(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 105079226
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol (CID 105078061) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol?
The InChIKey is FGJLKKRRAAZQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-11-5-3-4-6-13(11)9-16(20)18-12(2)15-10-14(19)7-8-17(15)21-18/h3-8,10,16,20H,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol has a molecular weight of 284.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 105078061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).