3-phenyl-1-thiophen-2-ylpropan-1-ol

C13H14OS — CID 60798407

IUPAC3-phenyl-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1ccccc1)c1cccs1
InChIInChI=1S/C13H14OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10,12,14H,8-9H2
InChIKeyODVLFCHPJIVBSD-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.41
Rot. Bonds4

About 3-phenyl-1-thiophen-2-ylpropan-1-ol

3-phenyl-1-thiophen-2-ylpropan-1-ol (PubChem CID 60798407) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-phenyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-phenyl-1-thiophen-2-ylpropan-1-ol
PubChem CID60798407
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name3-phenyl-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1ccccc1)c1cccs1
InChIInChI=1S/C13H14OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10,12,14H,8-9H2
InChIKeyODVLFCHPJIVBSD-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzothiophen-3-ylmethanol
CID 2776342
3-(Thiophen-2-YL)phenol
CID 3564196
2-(Hydroxymethyl)benzo[b]thiophene
CID 2776335
[2,2':5',2'']Terthiophen-4-yl-methanol
CID 44313272
Thiochroman-4-ol
CID 375102
Phenyl(2-thienyl)methanol
CID 2741016
1-Benzothiophen-5-ylmethanol
CID 2795446
2-(Thiophen-2-yl)phenol
CID 3564195
(4R)-3,4-dihydro-2H-1-benzothiopyran-4-ol
CID 7812615
1-hydroxy-3-thiophen-2-yl-3H-2,1-benzoxaborole
CID 164627328
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
Cyclopropyl(4-fluorophenyl)thiophen-2-ylmethanol
CID 285500

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-phenyl-1-thiophen-2-ylpropan-1-ol (CID 60798407) is 3-phenyl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-phenyl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-phenyl-1-thiophen-2-ylpropan-1-ol is OC(CCc1ccccc1)c1cccs1.
What is the InChIKey of 3-phenyl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is ODVLFCHPJIVBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10,12,14H,8-9H2.
What are the key properties of 3-phenyl-1-thiophen-2-ylpropan-1-ol?
3-phenyl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 218.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 60798407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).