[1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol

C15H19NO — CID 45098060

IUPAC[1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol
SMILESCCCc1ccn(-c2ccc(C)cc2)c1CO
InChIInChI=1S/C15H19NO/c1-3-4-13-9-10-16(15(13)11-17)14-7-5-12(2)6-8-14/h5-10,17H,3-4,11H2,1-2H3
InChIKeyYYUCILKXOZFQOB-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.23
Rot. Bonds4

About [1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol

[1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol (PubChem CID 45098060) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is [1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol
PubChem CID45098060
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name[1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol
SMILESCCCc1ccn(-c2ccc(C)cc2)c1CO
InChIInChI=1S/C15H19NO/c1-3-4-13-9-10-16(15(13)11-17)14-7-5-12(2)6-8-14/h5-10,17H,3-4,11H2,1-2H3
InChIKeyYYUCILKXOZFQOB-UHFFFAOYSA-N
XLogP3.23
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol (CID 45098060) is [1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol is CCCc1ccn(-c2ccc(C)cc2)c1CO.
What is the InChIKey of [1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol?
The InChIKey is YYUCILKXOZFQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-4-13-9-10-16(15(13)11-17)14-7-5-12(2)6-8-14/h5-10,17H,3-4,11H2,1-2H3.
What are the key properties of [1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol?
[1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol has a molecular weight of 229.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol is sourced from PubChem (CID 45098060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).