2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol

C16H15FOS — CID 105093619

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)C1Cc2ccccc2S1
InChIInChI=1S/C16H15FOS/c1-10-6-7-12(17)9-13(10)16(18)15-8-11-4-2-3-5-14(11)19-15/h2-7,9,15-16,18H,8H2,1H3
InChIKeySEGFUFJESQGRGX-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.88
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol

2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol (PubChem CID 105093619) has the molecular formula C16H15FOS and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol
PubChem CID105093619
Molecular FormulaC16H15FOS
Molecular Weight274.36 g/mol
Exact Mass274.08
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)C1Cc2ccccc2S1
InChIInChI=1S/C16H15FOS/c1-10-6-7-12(17)9-13(10)16(18)15-8-11-4-2-3-5-14(11)19-15/h2-7,9,15-16,18H,8H2,1H3
InChIKeySEGFUFJESQGRGX-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol
CID 105091980
(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105113739
2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129629
2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154978
2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
CID 105087837
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 105092704
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 105094696
2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol
CID 105121436
(5-fluoro-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560260
N-[2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methyl]ethanamine
CID 105088110
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105170008
(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132379

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol (CID 105093619) is 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol is Cc1ccc(F)cc1C(O)C1Cc2ccccc2S1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is SEGFUFJESQGRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FOS/c1-10-6-7-12(17)9-13(10)16(18)15-8-11-4-2-3-5-14(11)19-15/h2-7,9,15-16,18H,8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol?
2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol has a molecular weight of 274.36 g/mol, XLogP of 3.88, 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-2-yl-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 105093619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).