[4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol

C18H21FOS — CID 134907239

IUPAC[4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol
SMILESCC(C)=Cc1sc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C18H21FOS/c1-11(2)9-16-17(13-5-7-14(19)8-6-13)15(10-20)18(21-16)12(3)4/h5-9,12,20H,10H2,1-4H3
InChIKeyBOVPWVYRFKTBKN-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.59
Rot. Bonds4

About [4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol

[4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol (PubChem CID 134907239) has the molecular formula C18H21FOS and a molecular weight of 304.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol
PubChem CID134907239
Molecular FormulaC18H21FOS
Molecular Weight304.43 g/mol
Exact Mass304.13
IUPAC Name[4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol
SMILESCC(C)=Cc1sc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C18H21FOS/c1-11(2)9-16-17(13-5-7-14(19)8-6-13)15(10-20)18(21-16)12(3)4/h5-9,12,20H,10H2,1-4H3
InChIKeyBOVPWVYRFKTBKN-UHFFFAOYSA-N
XLogP5.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl(2-thienyl)methanol
CID 2741016
Cyclopropyl(4-fluorophenyl)thiophen-2-ylmethanol
CID 285500
{4-[2-(4-Fluoro-phenyl)-thiophen-3-yl]-phenyl}-methanol
CID 10424013
(4-Fluoro-1-benzothiophen-2-yl)methanol
CID 53396439
(2-Thiophen-2-ylphenyl)methanol
CID 2795559
3-Methylbenzo(b)thiophene-2-methanol
CID 601293
1-Phenyl-1-(2-thienyl)ethan-1-ol
CID 4259300
(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
(2,3,4,5,6-Pentafluorophenyl)-thiophen-2-ylmethanol
CID 61088441
(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol
CID 102368459

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol (CID 134907239) is [4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol is CC(C)=Cc1sc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol?
The InChIKey is BOVPWVYRFKTBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FOS/c1-11(2)9-16-17(13-5-7-14(19)8-6-13)15(10-20)18(21-16)12(3)4/h5-9,12,20H,10H2,1-4H3.
What are the key properties of [4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol?
[4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol has a molecular weight of 304.43 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol is sourced from PubChem (CID 134907239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).