(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol

C15H12ClFOS — CID 105397717

IUPAC(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESOC(c1cc(F)ccc1Cl)C1CSc2ccccc21
InChIInChI=1S/C15H12ClFOS/c16-13-6-5-9(17)7-11(13)15(18)12-8-19-14-4-2-1-3-10(12)14/h1-7,12,15,18H,8H2
InChIKeyWVQDKIKIDCFCCB-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.40
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol

(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol (PubChem CID 105397717) has the molecular formula C15H12ClFOS and a molecular weight of 294.78 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
PubChem CID105397717
Molecular FormulaC15H12ClFOS
Molecular Weight294.78 g/mol
Exact Mass294.03
IUPAC Name(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
SMILESOC(c1cc(F)ccc1Cl)C1CSc2ccccc21
InChIInChI=1S/C15H12ClFOS/c16-13-6-5-9(17)7-11(13)15(18)12-8-19-14-4-2-1-3-10(12)14/h1-7,12,15,18H,8H2
InChIKeyWVQDKIKIDCFCCB-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.40
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
2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol
CID 105094086
2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176556
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 103053466
2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105086826
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105132247
[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 106657550
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105128520
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
CID 79215568
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol
CID 105394546
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol
CID 64986314
(2-chloro-5-fluorophenyl)methanediol
CID 71441110

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The IUPAC name of (2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol (CID 105397717) is (2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol is OC(c1cc(F)ccc1Cl)C1CSc2ccccc21.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
The InChIKey is WVQDKIKIDCFCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFOS/c16-13-6-5-9(17)7-11(13)15(18)12-8-19-14-4-2-1-3-10(12)14/h1-7,12,15,18H,8H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol?
(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol has a molecular weight of 294.78 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 105397717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).