2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol

C16H15FOS — CID 105094086

IUPAC2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2CSc3ccccc32)ccc1F
InChIInChI=1S/C16H15FOS/c1-10-8-11(6-7-14(10)17)16(18)13-9-19-15-5-3-2-4-12(13)15/h2-8,13,16,18H,9H2,1H3
InChIKeySSQPPGUELSBXIC-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.06
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol

2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol (PubChem CID 105094086) has the molecular formula C16H15FOS and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol
PubChem CID105094086
Molecular FormulaC16H15FOS
Molecular Weight274.36 g/mol
Exact Mass274.08
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)C2CSc3ccccc32)ccc1F
InChIInChI=1S/C16H15FOS/c1-10-8-11(6-7-14(10)17)16(18)13-9-19-15-5-3-2-4-12(13)15/h2-8,13,16,18H,9H2,1H3
InChIKeySSQPPGUELSBXIC-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105096407
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105142911
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105397717
(4-fluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424893
(5,6-dimethyl-1,4-dithian-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 103345091
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 106657550
2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105086826
(1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 79659157
(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
CID 79023931
N-[2,3-dihydro-1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 105088283

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol (CID 105094086) is 2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)C2CSc3ccccc32)ccc1F.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is SSQPPGUELSBXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FOS/c1-10-8-11(6-7-14(10)17)16(18)13-9-19-15-5-3-2-4-12(13)15/h2-8,13,16,18H,9H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol?
2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol has a molecular weight of 274.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 105094086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).