(4-fluoro-1-benzothiophen-3-yl)methanol

C9H7FOS — CID 117119260

IUPAC(4-fluoro-1-benzothiophen-3-yl)methanol
SMILESOCc1csc2cccc(F)c12
InChIInChI=1S/C9H7FOS/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,11H,4H2
InChIKeySQTSMVGMDIDLBD-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.53
Rot. Bonds1

About (4-fluoro-1-benzothiophen-3-yl)methanol

(4-fluoro-1-benzothiophen-3-yl)methanol (PubChem CID 117119260) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is (4-fluoro-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1-benzothiophen-3-yl)methanol
PubChem CID117119260
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name(4-fluoro-1-benzothiophen-3-yl)methanol
SMILESOCc1csc2cccc(F)c12
InChIInChI=1S/C9H7FOS/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,11H,4H2
InChIKeySQTSMVGMDIDLBD-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-1-benzothiophen-3-yl]methanol
CID 117170804
2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 176716325
3-(hydroxymethyl)-1-benzothiophene-4-carboxylic acid
CID 117171039
ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate
CID 86137864
ethane;4-fluoro-3-methyl-1-benzothiophene
CID 176569094
N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117170813
4-fluoro-3-[(2-methylphenoxy)methyl]-1-benzothiophene
CID 117170884
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170932
(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol
CID 130855351
(3-fluoro-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131000550
[4-bromo-5-(bromomethyl)-1-benzothiophen-3-yl]methanol
CID 130885352
(6-bromo-3-fluoro-1-benzothiophen-4-yl)methanol
CID 130805825

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-benzothiophen-3-yl)methanol?
The IUPAC name of (4-fluoro-1-benzothiophen-3-yl)methanol (CID 117119260) is (4-fluoro-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (4-fluoro-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (4-fluoro-1-benzothiophen-3-yl)methanol is OCc1csc2cccc(F)c12.
What is the InChIKey of (4-fluoro-1-benzothiophen-3-yl)methanol?
The InChIKey is SQTSMVGMDIDLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,11H,4H2.
What are the key properties of (4-fluoro-1-benzothiophen-3-yl)methanol?
(4-fluoro-1-benzothiophen-3-yl)methanol has a molecular weight of 182.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 117119260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).