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

C10H9FO2S — CID 131000571

IUPAC(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
SMILESCOc1c(CO)cc(F)c2sccc12
InChIInChI=1S/C10H9FO2S/c1-13-9-6(5-12)4-8(11)10-7(9)2-3-14-10/h2-4,12H,5H2,1H3
InChIKeyHHCRAERFORCPIO-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.54
Rot. Bonds2

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

(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol (PubChem CID 131000571) has the molecular formula C10H9FO2S and a molecular weight of 212.24 g/mol. Its IUPAC name is (7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
PubChem CID131000571
Molecular FormulaC10H9FO2S
Molecular Weight212.24 g/mol
Exact Mass212.03
IUPAC Name(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
SMILESCOc1c(CO)cc(F)c2sccc12
InChIInChI=1S/C10H9FO2S/c1-13-9-6(5-12)4-8(11)10-7(9)2-3-14-10/h2-4,12H,5H2,1H3
InChIKeyHHCRAERFORCPIO-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

(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241
[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 131146400
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
CID 130987107
6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
7-chloro-5-ethyl-4-methoxy-1-benzothiophene
CID 130971610
6-chloro-4-fluoro-7-methoxy-1-benzothiophene
CID 130866206
(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130987910
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
CID 154087943
(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
CID 130956430
[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol
CID 84685355
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol?
The IUPAC name of (7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol (CID 131000571) is (7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol is COc1c(CO)cc(F)c2sccc12.
What is the InChIKey of (7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol?
The InChIKey is HHCRAERFORCPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2S/c1-13-9-6(5-12)4-8(11)10-7(9)2-3-14-10/h2-4,12H,5H2,1H3.
What are the key properties of (7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol?
(7-fluoro-4-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 (7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 131000571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).