1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol

C16H12ClFOS — CID 105394073

IUPAC1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol
SMILESCC(O)(c1cc2ccccc2s1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H12ClFOS/c1-16(19,12-9-11(18)6-7-13(12)17)15-8-10-4-2-3-5-14(10)20-15/h2-9,19H,1H3
InChIKeyCBPDPCNCHMWYSX-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.95
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol

1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol (PubChem CID 105394073) has the molecular formula C16H12ClFOS and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol
PubChem CID105394073
Molecular FormulaC16H12ClFOS
Molecular Weight306.79 g/mol
Exact Mass306.03
IUPAC Name1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol
SMILESCC(O)(c1cc2ccccc2s1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H12ClFOS/c1-16(19,12-9-11(18)6-7-13(12)17)15-8-10-4-2-3-5-14(10)20-15/h2-9,19H,1H3
InChIKeyCBPDPCNCHMWYSX-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-1-(2-methylphenyl)ethanol
CID 114910776
1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol
CID 114910893
1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 114910959
1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol
CID 114910885
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
CID 105393748
1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol
CID 114910952
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
CID 901528
3-[1-(2-chloro-5-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 105393988

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol (CID 105394073) is 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol is CC(O)(c1cc2ccccc2s1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol?
The InChIKey is CBPDPCNCHMWYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFOS/c1-16(19,12-9-11(18)6-7-13(12)17)15-8-10-4-2-3-5-14(10)20-15/h2-9,19H,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol?
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol has a molecular weight of 306.79 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol is sourced from PubChem (CID 105394073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).