1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol

C17H15FOS2 — CID 58568116

IUPAC1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1)c1ccsc1-c1cccs1
InChIInChI=1S/C17H15FOS2/c1-17(19,11-12-4-6-13(18)7-5-12)14-8-10-21-16(14)15-3-2-9-20-15/h2-10,19H,11H2,1H3
InChIKeyYHKZMWDVJUOVJF-UHFFFAOYSA-N
MW318.44 g/mol
LogP5.07
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol

1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol (PubChem CID 58568116) has the molecular formula C17H15FOS2 and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
PubChem CID58568116
Molecular FormulaC17H15FOS2
Molecular Weight318.44 g/mol
Exact Mass318.05
IUPAC Name1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1)c1ccsc1-c1cccs1
InChIInChI=1S/C17H15FOS2/c1-17(19,11-12-4-6-13(18)7-5-12)14-8-10-21-16(14)15-3-2-9-20-15/h2-10,19H,11H2,1H3
InChIKeyYHKZMWDVJUOVJF-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl(2-thienyl)methanol
CID 2741016
Cyclopropyl(4-fluorophenyl)thiophen-2-ylmethanol
CID 285500
Diphenyl(thiophen-2-yl)methanol
CID 315631
1,1,1,3,3,3-Hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol
CID 102004321
Diphenyl(thiophen-3-yl)methanol
CID 315629
Uxwxnuleokqdqj-uhfffaoysa-
CID 21680490
{4-[2-(4-Fluoro-phenyl)-thiophen-3-yl]-phenyl}-methanol
CID 10424013
(1S)-1-(1-benzothiophen-3-yl)ethan-1-ol
CID 25128401
(5-Thiophen-2-ylthiophen-3-yl)methanol
CID 10607951
[5-[4-(Hydroxymethyl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15480870
1-Phenyl-1-(2-thienyl)ethan-1-ol
CID 4259300
2-[3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-thiophen-2-yl]-propan-2-ol
CID 44383610

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol (CID 58568116) is 1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol is CC(O)(Cc1ccc(F)cc1)c1ccsc1-c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The InChIKey is YHKZMWDVJUOVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FOS2/c1-17(19,11-12-4-6-13(18)7-5-12)14-8-10-21-16(14)15-3-2-9-20-15/h2-10,19H,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol has a molecular weight of 318.44 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol is sourced from PubChem (CID 58568116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).