(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol

C15H13FO2S — CID 105112954

IUPAC(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H13FO2S/c1-8-5-6-19-15(8)13(17)14-9(2)11-7-10(16)3-4-12(11)18-14/h3-7,13,17H,1-2H3
InChIKeyJRCZWHAABVXBBH-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.33
Rot. Bonds2

About (5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol (PubChem CID 105112954) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol
PubChem CID105112954
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H13FO2S/c1-8-5-6-19-15(8)13(17)14-9(2)11-7-10(16)3-4-12(11)18-14/h3-7,13,17H,1-2H3
InChIKeyJRCZWHAABVXBBH-UHFFFAOYSA-N
XLogP4.33
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 105079226
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464
2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
CID 105139486
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078061
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-en-1-ol
CID 105081653
(5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63991665
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 105134166
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
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-propoxyethanol
CID 105111899

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol (CID 105112954) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is JRCZWHAABVXBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-8-5-6-19-15(8)13(17)14-9(2)11-7-10(16)3-4-12(11)18-14/h3-7,13,17H,1-2H3.
What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol?
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 276.33 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 105112954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).