[2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol

C15H15NO — CID 137399592

IUPAC[2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol
SMILESC#Cc1ccc(-n2c(C)ccc2C)c(CO)c1
InChIInChI=1S/C15H15NO/c1-4-13-7-8-15(14(9-13)10-17)16-11(2)5-6-12(16)3/h1,5-9,17H,10H2,2-3H3
InChIKeyZEDKNHHLZAUOJO-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.57
Rot. Bonds2

About [2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol

[2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol (PubChem CID 137399592) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is [2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol.

Molecular Properties

Compound Name[2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol
PubChem CID137399592
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name[2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol
SMILESC#Cc1ccc(-n2c(C)ccc2C)c(CO)c1
InChIInChI=1S/C15H15NO/c1-4-13-7-8-15(14(9-13)10-17)16-11(2)5-6-12(16)3/h1,5-9,17H,10H2,2-3H3
InChIKeyZEDKNHHLZAUOJO-UHFFFAOYSA-N
XLogP2.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Phenethyl alcohol, p-(2-methyl-5-phenylpyrrol-1-yl)-
CID 213326
(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methanol
CID 900407
[2,5-Dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methan-1-ol
CID 1084373
(2-(1H-pyrrol-1-yl)phenyl)methanol
CID 7016493
(2-Methylquinolin-8-yl)methanol
CID 58408251
[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanol
CID 894104
[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanol
CID 900403
[4-(4-Fluorophenyl)-2,5-dimethyl-1-phenylpyrrol-3-yl]methanol
CID 14369139
[5-(4-Fluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
CID 116828846
[1,2-Dimethyl-5-(trifluoromethyl)indol-3-yl]methanol
CID 122447050
2-[2-(2,5-Dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol
CID 146283850
Benzenemethanol, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-
CID 608481

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol?
The IUPAC name of [2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol (CID 137399592) is [2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol.
What is the SMILES notation for [2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol?
The canonical SMILES for [2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol is C#Cc1ccc(-n2c(C)ccc2C)c(CO)c1.
What is the InChIKey of [2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol?
The InChIKey is ZEDKNHHLZAUOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-4-13-7-8-15(14(9-13)10-17)16-11(2)5-6-12(16)3/h1,5-9,17H,10H2,2-3H3.
What are the key properties of [2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol?
[2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol has a molecular weight of 225.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylpyrrol-1-yl)-5-ethynylphenyl]methanol is sourced from PubChem (CID 137399592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).