(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol

C10H9FOS — CID 131197619

IUPAC(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol
SMILESCc1c(F)ccc2c(CO)csc12
InChIInChI=1S/C10H9FOS/c1-6-9(11)3-2-8-7(4-12)5-13-10(6)8/h2-3,5,12H,4H2,1H3
InChIKeyYXMIGGWPTMSMTC-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.84
Rot. Bonds1

About (6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol

(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol (PubChem CID 131197619) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is (6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol
PubChem CID131197619
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol
SMILESCc1c(F)ccc2c(CO)csc12
InChIInChI=1S/C10H9FOS/c1-6-9(11)3-2-8-7(4-12)5-13-10(6)8/h2-3,5,12H,4H2,1H3
InChIKeyYXMIGGWPTMSMTC-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

(7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol
CID 131196624
(7-bromo-1-benzothiophen-3-yl)methanol
CID 81142228
3-ethyl-6-fluoro-7-methylsulfanyl-1-benzothiophene
CID 131076578
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
(6-fluoro-1-benzothiophen-3-yl)methanol
CID 71649882
[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
CID 130878455
6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
CID 131138081
7-amino-3-(hydroxymethyl)-1-benzothiophene-6-carbonitrile
CID 131080388
(7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol
CID 131000562
3-ethyl-7-fluoro-1-benzothiophene-6-carbaldehyde
CID 131218775
1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
CID 117181462
(5-chloro-1-benzothiophen-3-yl)methanol
CID 2776136

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol?
The IUPAC name of (6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol (CID 131197619) is (6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol is Cc1c(F)ccc2c(CO)csc12.
What is the InChIKey of (6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol?
The InChIKey is YXMIGGWPTMSMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6-9(11)3-2-8-7(4-12)5-13-10(6)8/h2-3,5,12H,4H2,1H3.
What are the key properties of (6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol?
(6-fluoro-7-methyl-1-benzothiophen-3-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 (6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 131197619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).