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

C16H21NO — CID 86019430

IUPAC[3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol
SMILESCCCCc1ccn(-c2ccc(C)cc2)c1CO
InChIInChI=1S/C16H21NO/c1-3-4-5-14-10-11-17(16(14)12-18)15-8-6-13(2)7-9-15/h6-11,18H,3-5,12H2,1-2H3
InChIKeyJJYYROSTDPJCGT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds5

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

[3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol (PubChem CID 86019430) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is [3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol
PubChem CID86019430
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name[3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol
SMILESCCCCc1ccn(-c2ccc(C)cc2)c1CO
InChIInChI=1S/C16H21NO/c1-3-4-5-14-10-11-17(16(14)12-18)15-8-6-13(2)7-9-15/h6-11,18H,3-5,12H2,1-2H3
InChIKeyJJYYROSTDPJCGT-UHFFFAOYSA-N
XLogP3.62
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol
CID 45098060
(1-phenyl-3-propylpyrrol-2-yl)methanol
CID 86019425
[1-(4-methoxyphenyl)-3-propylpyrrol-2-yl]methanol
CID 86019427
2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one
CID 12025029
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
(1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol
CID 57205841
1-heptyl-3-(4-methylphenyl)imidazol-1-ium
CID 139253073
1,2,3,4-tetrabutylbenzene
CID 11220391
1-hexyl-3-(4-methylphenyl)imidazol-1-ium bromide
CID 87306883
1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene
CID 155761642
ethanol;methanol;1,4-xylene
CID 70196397
1-butyl-4-methylbenzene;formic acid
CID 177221373

Frequently Asked Questions

What is the IUPAC name of [3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol?
The IUPAC name of [3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol (CID 86019430) is [3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol?
The canonical SMILES for [3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol is CCCCc1ccn(-c2ccc(C)cc2)c1CO.
What is the InChIKey of [3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol?
The InChIKey is JJYYROSTDPJCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-4-5-14-10-11-17(16(14)12-18)15-8-6-13(2)7-9-15/h6-11,18H,3-5,12H2,1-2H3.
What are the key properties of [3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol?
[3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butyl-1-(4-methylphenyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 86019430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).