(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol

C10H9FO2S — CID 130987107

IUPAC(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
SMILESCOc1cc(CO)c(F)c2ccsc12
InChIInChI=1S/C10H9FO2S/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h2-4,12H,5H2,1H3
InChIKeyBSWYFWZKJCVOBU-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.54
Rot. Bonds2

About (4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol

(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol (PubChem CID 130987107) has the molecular formula C10H9FO2S and a molecular weight of 212.24 g/mol. Its IUPAC name is (4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
PubChem CID130987107
Molecular FormulaC10H9FO2S
Molecular Weight212.24 g/mol
Exact Mass212.03
IUPAC Name(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
SMILESCOc1cc(CO)c(F)c2ccsc12
InChIInChI=1S/C10H9FO2S/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h2-4,12H,5H2,1H3
InChIKeyBSWYFWZKJCVOBU-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
4-fluoro-5-methoxy-1-benzothiophen-7-ol
CID 131196385
4-fluoro-5-methoxy-7-methyl-1-benzothiophene
CID 130925600
(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241
4,7-dimethoxy-1-benzothiophene
CID 11095506
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
(7-methoxy-1-benzothiophen-5-yl)methanol
CID 130050628
4,5-dibromo-7-methoxy-1-benzothiophene
CID 130926286
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 131146400
(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
CID 130956430

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol?
The IUPAC name of (4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol (CID 130987107) is (4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol is COc1cc(CO)c(F)c2ccsc12.
What is the InChIKey of (4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol?
The InChIKey is BSWYFWZKJCVOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2S/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h2-4,12H,5H2,1H3.
What are the key properties of (4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol?
(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol has a molecular weight of 212.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130987107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).