(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol

C10H9FOS — CID 130855351

IUPAC(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol
SMILESCc1sc2cccc(F)c2c1CO
InChIInChI=1S/C10H9FOS/c1-6-7(5-12)10-8(11)3-2-4-9(10)13-6/h2-4,12H,5H2,1H3
InChIKeyPAMOLDCBDPYYAE-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.84
Rot. Bonds1

About (4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol

(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol (PubChem CID 130855351) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is (4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol
PubChem CID130855351
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name(4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol
SMILESCc1sc2cccc(F)c2c1CO
InChIInChI=1S/C10H9FOS/c1-6-7(5-12)10-8(11)3-2-4-9(10)13-6/h2-4,12H,5H2,1H3
InChIKeyPAMOLDCBDPYYAE-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

ethyl 3-[(2,6-difluorobenzoyl)oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate
CID 7699515
4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 7129158
(2-methylphenyl)methyl 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate
CID 7736124
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
3,4-difluoro-1-benzothiophen-2-ol
CID 131053776
(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
ethyl 3-[(5-chlorothiophene-2-carbonyl)oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate
CID 7702053
[2-(azepan-1-yl)-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062031
ethyl 4-fluoro-3-[(3-methoxybenzoyl)oxymethyl]-1-benzothiophene-2-carboxylate
CID 7697984
[4-(bromomethyl)-2-fluoro-1-benzothiophen-3-yl]methanol
CID 130792423
4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 33141822
(4-amino-2-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 130816502

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol?
The IUPAC name of (4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol (CID 130855351) is (4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol is Cc1sc2cccc(F)c2c1CO.
What is the InChIKey of (4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol?
The InChIKey is PAMOLDCBDPYYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-6-7(5-12)10-8(11)3-2-4-9(10)13-6/h2-4,12H,5H2,1H3.
What are the key properties of (4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol?
(4-fluoro-2-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 (4-fluoro-2-methyl-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 130855351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).