1-phenyl-3-thiophen-2-ylpropane-1,2-diol

C13H14O2S — CID 103459541

IUPAC1-phenyl-3-thiophen-2-ylpropane-1,2-diol
SMILESOC(Cc1cccs1)C(O)c1ccccc1
InChIInChI=1S/C13H14O2S/c14-12(9-11-7-4-8-16-11)13(15)10-5-2-1-3-6-10/h1-8,12-15H,9H2
InChIKeyNCWCKEGJKXJBFS-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.39
Rot. Bonds4

About 1-phenyl-3-thiophen-2-ylpropane-1,2-diol

1-phenyl-3-thiophen-2-ylpropane-1,2-diol (PubChem CID 103459541) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-phenyl-3-thiophen-2-ylpropane-1,2-diol.

Molecular Properties

Compound Name1-phenyl-3-thiophen-2-ylpropane-1,2-diol
PubChem CID103459541
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name1-phenyl-3-thiophen-2-ylpropane-1,2-diol
SMILESOC(Cc1cccs1)C(O)c1ccccc1
InChIInChI=1S/C13H14O2S/c14-12(9-11-7-4-8-16-11)13(15)10-5-2-1-3-6-10/h1-8,12-15H,9H2
InChIKeyNCWCKEGJKXJBFS-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-thiophen-2-ylpentan-2-ol
CID 115785629
(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
1-(4-phenylphenyl)-2-thiophen-2-ylethanol
CID 65148567
(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 10220540
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
1-(3-aminophenyl)-2-thiophen-2-ylethanol
CID 106695892
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
4-phenyl-1-thiophen-2-ylpentan-3-ol
CID 65149511
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-thiophen-2-ylpropane-1,2-diol?
The IUPAC name of 1-phenyl-3-thiophen-2-ylpropane-1,2-diol (CID 103459541) is 1-phenyl-3-thiophen-2-ylpropane-1,2-diol.
What is the SMILES notation for 1-phenyl-3-thiophen-2-ylpropane-1,2-diol?
The canonical SMILES for 1-phenyl-3-thiophen-2-ylpropane-1,2-diol is OC(Cc1cccs1)C(O)c1ccccc1.
What is the InChIKey of 1-phenyl-3-thiophen-2-ylpropane-1,2-diol?
The InChIKey is NCWCKEGJKXJBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c14-12(9-11-7-4-8-16-11)13(15)10-5-2-1-3-6-10/h1-8,12-15H,9H2.
What are the key properties of 1-phenyl-3-thiophen-2-ylpropane-1,2-diol?
1-phenyl-3-thiophen-2-ylpropane-1,2-diol has a molecular weight of 234.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiophen-2-ylpropane-1,2-diol is sourced from PubChem (CID 103459541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).