(S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol

C15H11FOS — CID 134965046

IUPAC(S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol
SMILESO[C@@H](c1ccc(F)cc1)c1csc2ccccc12
InChIInChI=1S/C15H11FOS/c16-11-7-5-10(6-8-11)15(17)13-9-18-14-4-2-1-3-12(13)14/h1-9,15,17H/t15-/m0/s1
InChIKeyPRPHYQIOHXOJFU-HNNXBMFYSA-N
MW258.32 g/mol
LogP4.12
Rot. Bonds2

About (S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol

(S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol (PubChem CID 134965046) has the molecular formula C15H11FOS and a molecular weight of 258.32 g/mol. Its IUPAC name is (S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol
PubChem CID134965046
Molecular FormulaC15H11FOS
Molecular Weight258.32 g/mol
Exact Mass258.05
IUPAC Name(S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol
SMILESO[C@@H](c1ccc(F)cc1)c1csc2ccccc12
InChIInChI=1S/C15H11FOS/c16-11-7-5-10(6-8-11)15(17)13-9-18-14-4-2-1-3-12(13)14/h1-9,15,17H/t15-/m0/s1
InChIKeyPRPHYQIOHXOJFU-HNNXBMFYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzothiophen-3-ylmethanol
CID 2776342
2-(Hydroxymethyl)benzo[b]thiophene
CID 2776335
Phenyl(2-thienyl)methanol
CID 2741016
1-Benzothiophen-5-ylmethanol
CID 2795446
Diphenyl(thiophen-2-yl)methanol
CID 315631
1-Benzothiophen-6-ylmethanol
CID 13540121
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
CID 5460102
Cyclohexanol, 1-benzo[b]thien-2-yl-
CID 398367
3-(4-Fluoro-phenyl)-benzo[b]thiophen-6-ol
CID 22314196
(2-(Benzo[b]thiophen-2-yl)phenyl)methanol
CID 46228230
1-(1-Benzothiophen-2-yl)-2-methylsulfinylethanol
CID 53233005
Diphenyl(thiophen-3-yl)methanol
CID 315629

Frequently Asked Questions

What is the IUPAC name of (S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol?
The IUPAC name of (S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol (CID 134965046) is (S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol.
What is the SMILES notation for (S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol?
The canonical SMILES for (S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol is O[C@@H](c1ccc(F)cc1)c1csc2ccccc12.
What is the InChIKey of (S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol?
The InChIKey is PRPHYQIOHXOJFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H11FOS/c16-11-7-5-10(6-8-11)15(17)13-9-18-14-4-2-1-3-12(13)14/h1-9,15,17H/t15-/m0/s1.
What are the key properties of (S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol?
(S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol has a molecular weight of 258.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol is sourced from PubChem (CID 134965046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).