1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol

C17H15FOS — CID 65144887

IUPAC1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1csc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C17H15FOS/c1-17(19,13-5-4-6-14(18)9-13)10-12-11-20-16-8-3-2-7-15(12)16/h2-9,11,19H,10H2,1H3
InChIKeyNCQPAJBKHCFWSW-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.49
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol

1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol (PubChem CID 65144887) has the molecular formula C17H15FOS and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol
PubChem CID65144887
Molecular FormulaC17H15FOS
Molecular Weight286.37 g/mol
Exact Mass286.08
IUPAC Name1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1csc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C17H15FOS/c1-17(19,13-5-4-6-14(18)9-13)10-12-11-20-16-8-3-2-7-15(12)16/h2-9,11,19H,10H2,1H3
InChIKeyNCQPAJBKHCFWSW-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(1-benzothiophen-3-yl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481651
(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol
CID 65145228
1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
CID 104793004
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
3-(3-bromo-2,2-dimethylpropyl)-1-benzothiophene
CID 66048185
2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol
CID 65479485
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
1-(1-benzothiophen-3-yl)-4-chloro-2-phenylbutan-2-ol
CID 116696301
2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 106506221

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol (CID 65144887) is 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol is CC(O)(Cc1csc2ccccc12)c1cccc(F)c1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol?
The InChIKey is NCQPAJBKHCFWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FOS/c1-17(19,13-5-4-6-14(18)9-13)10-12-11-20-16-8-3-2-7-15(12)16/h2-9,11,19H,10H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol?
1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol has a molecular weight of 286.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 65144887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).