3-phenyl-1-thiophen-2-ylpentan-2-ol

C15H18OS — CID 115785629

IUPAC3-phenyl-1-thiophen-2-ylpentan-2-ol
SMILESCCC(c1ccccc1)C(O)Cc1cccs1
InChIInChI=1S/C15H18OS/c1-2-14(12-7-4-3-5-8-12)15(16)11-13-9-6-10-17-13/h3-10,14-16H,2,11H2,1H3
InChIKeyOKQGOXQYXPCMET-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.85
Rot. Bonds5

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

3-phenyl-1-thiophen-2-ylpentan-2-ol (PubChem CID 115785629) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-phenyl-1-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name3-phenyl-1-thiophen-2-ylpentan-2-ol
PubChem CID115785629
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name3-phenyl-1-thiophen-2-ylpentan-2-ol
SMILESCCC(c1ccccc1)C(O)Cc1cccs1
InChIInChI=1S/C15H18OS/c1-2-14(12-7-4-3-5-8-12)15(16)11-13-9-6-10-17-13/h3-10,14-16H,2,11H2,1H3
InChIKeyOKQGOXQYXPCMET-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-thiophen-2-ylpropane-1,2-diol
CID 103459541
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
4-phenyl-1-thiophen-2-ylpentan-3-ol
CID 65149511
(2S)-3-phenylpentan-2-ol
CID 45048673
(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
1-(4-phenylphenyl)-2-thiophen-2-ylethanol
CID 65148567
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008
5-phenylhept-1-yn-4-ol
CID 115840091
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436
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

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-thiophen-2-ylpentan-2-ol?
The IUPAC name of 3-phenyl-1-thiophen-2-ylpentan-2-ol (CID 115785629) is 3-phenyl-1-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 3-phenyl-1-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 3-phenyl-1-thiophen-2-ylpentan-2-ol is CCC(c1ccccc1)C(O)Cc1cccs1.
What is the InChIKey of 3-phenyl-1-thiophen-2-ylpentan-2-ol?
The InChIKey is OKQGOXQYXPCMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-2-14(12-7-4-3-5-8-12)15(16)11-13-9-6-10-17-13/h3-10,14-16H,2,11H2,1H3.
What are the key properties of 3-phenyl-1-thiophen-2-ylpentan-2-ol?
3-phenyl-1-thiophen-2-ylpentan-2-ol has a molecular weight of 246.38 g/mol, XLogP of 3.85, 5 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-ylpentan-2-ol is sourced from PubChem (CID 115785629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).