2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol

C15H14O2S — CID 151992408

IUPAC2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol
SMILESCCCc1c(O)cc(C#Cc2cccs2)cc1O
InChIInChI=1S/C15H14O2S/c1-2-4-13-14(16)9-11(10-15(13)17)6-7-12-5-3-8-18-12/h3,5,8-10,16-17H,2,4H2,1H3
InChIKeyUEYMQFPMJVFKGZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.51
Rot. Bonds2

About 2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol

2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol (PubChem CID 151992408) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol
PubChem CID151992408
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol
SMILESCCCc1c(O)cc(C#Cc2cccs2)cc1O
InChIInChI=1S/C15H14O2S/c1-2-4-13-14(16)9-11(10-15(13)17)6-7-12-5-3-8-18-12/h3,5,8-10,16-17H,2,4H2,1H3
InChIKeyUEYMQFPMJVFKGZ-UHFFFAOYSA-N
XLogP3.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-propylphenyl)ethynyl]thiophene
CID 68818674
2-methoxy-6-methyl-4-(2-thiophen-2-ylethynyl)phenol
CID 129178295
2-[2-(4-fluoro-3-methylphenyl)ethynyl]thiophene
CID 141140890
1-[3-(2-thiophen-2-ylethynyl)phenyl]hexan-1-one
CID 14349163
2-ethyl-5-(2-phenylethynyl)benzene-1,3-diol
CID 122603261
2-propylbenzene-1,3,5-triol
CID 13411724
2-[2-(4-bromophenyl)ethynyl]thiophene
CID 691687
5-methyl-2-propylbenzene-1,3-diol
CID 12529753
(2S)-2-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 33025180
2-methyl-4-thiophen-2-ylbut-3-yne-1,2-diol
CID 44519880
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
4-ethyl-1-thiophen-2-yloct-1-yn-3-ol
CID 146003764

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol?
The IUPAC name of 2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol (CID 151992408) is 2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol.
What is the SMILES notation for 2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol?
The canonical SMILES for 2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol is CCCc1c(O)cc(C#Cc2cccs2)cc1O.
What is the InChIKey of 2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol?
The InChIKey is UEYMQFPMJVFKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-2-4-13-14(16)9-11(10-15(13)17)6-7-12-5-3-8-18-12/h3,5,8-10,16-17H,2,4H2,1H3.
What are the key properties of 2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol?
2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol has a molecular weight of 258.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(2-thiophen-2-ylethynyl)benzene-1,3-diol is sourced from PubChem (CID 151992408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).