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

C10H9FOS — CID 130987115

IUPAC(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
SMILESCc1c(F)cc(CO)c2sccc12
InChIInChI=1S/C10H9FOS/c1-6-8-2-3-13-10(8)7(5-12)4-9(6)11/h2-4,12H,5H2,1H3
InChIKeyAUDRNRZHSQMASO-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.84
Rot. Bonds1

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

(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol (PubChem CID 130987115) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is (5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
PubChem CID130987115
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
SMILESCc1c(F)cc(CO)c2sccc12
InChIInChI=1S/C10H9FOS/c1-6-8-2-3-13-10(8)7(5-12)4-9(6)11/h2-4,12H,5H2,1H3
InChIKeyAUDRNRZHSQMASO-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
(4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol
CID 130899140
[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 131146400
(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
CID 130956430
7-(hydroxymethyl)-5-methyl-1-benzothiophene-4-carbonitrile
CID 130961053
7-(hydroxymethyl)-4-sulfanyl-1-benzothiophen-5-ol
CID 131196046
(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
CID 131146100
7-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131029208
2-(4-fluoro-7-methyl-1-benzothiophen-6-yl)acetonitrile
CID 130878445
(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
CID 130987107

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol?
The IUPAC name of (5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol (CID 130987115) is (5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol is Cc1c(F)cc(CO)c2sccc12.
What is the InChIKey of (5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol?
The InChIKey is AUDRNRZHSQMASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6-8-2-3-13-10(8)7(5-12)4-9(6)11/h2-4,12H,5H2,1H3.
What are the key properties of (5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol?
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol has a molecular weight of 196.25 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 130987115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).