[5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol

C19H23FOS — CID 134907172

IUPAC[5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
SMILESCC(C)c1sc(C2CCCC2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H23FOS/c1-12(2)18-16(11-21)17(13-7-9-15(20)10-8-13)19(22-18)14-5-3-4-6-14/h7-10,12,14,21H,3-6,11H2,1-2H3
InChIKeyQGLGGVDLPDYUIC-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.83
Rot. Bonds4

About [5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol

[5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol (PubChem CID 134907172) has the molecular formula C19H23FOS and a molecular weight of 318.46 g/mol. Its IUPAC name is [5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol.

Molecular Properties

Compound Name[5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
PubChem CID134907172
Molecular FormulaC19H23FOS
Molecular Weight318.46 g/mol
Exact Mass318.15
IUPAC Name[5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
SMILESCC(C)c1sc(C2CCCC2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H23FOS/c1-12(2)18-16(11-21)17(13-7-9-15(20)10-8-13)19(22-18)14-5-3-4-6-14/h7-10,12,14,21H,3-6,11H2,1-2H3
InChIKeyQGLGGVDLPDYUIC-UHFFFAOYSA-N
XLogP5.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

{4-[2-(4-Fluoro-phenyl)-thiophen-3-yl]-phenyl}-methanol
CID 10424013
(2-Thiophen-2-ylphenyl)methanol
CID 2795559
(4-Fluorophenyl)(2-thienyl)methanol
CID 10987480
[4-(4-Fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol
CID 10957303
[5-(4-Chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
CID 11121971
(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol
CID 102368459
3-Methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 122379921
[4-(4-Fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol
CID 134907239
(5-Methylthiophen-2-yl)-phenylmethanol
CID 6624793
(5-Benzyl-3-thienyl)methanol
CID 12574080
(3,4-Diphenylthiophene-2,5-diyl)dimethanol
CID 13177160
{4-Methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl}methanol
CID 15946364

Frequently Asked Questions

What is the IUPAC name of [5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
The IUPAC name of [5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol (CID 134907172) is [5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol.
What is the SMILES notation for [5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
The canonical SMILES for [5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol is CC(C)c1sc(C2CCCC2)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
The InChIKey is QGLGGVDLPDYUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FOS/c1-12(2)18-16(11-21)17(13-7-9-15(20)10-8-13)19(22-18)14-5-3-4-6-14/h7-10,12,14,21H,3-6,11H2,1-2H3.
What are the key properties of [5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
[5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol has a molecular weight of 318.46 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopentyl-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol is sourced from PubChem (CID 134907172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).