[1-(2-ethylhexyl)pyrrol-2-yl]methanol

C13H23NO — CID 66397815

IUPAC[1-(2-ethylhexyl)pyrrol-2-yl]methanol
SMILESCCCCC(CC)Cn1cccc1CO
InChIInChI=1S/C13H23NO/c1-3-5-7-12(4-2)10-14-9-6-8-13(14)11-15/h6,8-9,12,15H,3-5,7,10-11H2,1-2H3
InChIKeyMOTKZBSJQJEVCZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.20
Rot. Bonds7

About [1-(2-ethylhexyl)pyrrol-2-yl]methanol

[1-(2-ethylhexyl)pyrrol-2-yl]methanol (PubChem CID 66397815) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [1-(2-ethylhexyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethylhexyl)pyrrol-2-yl]methanol
PubChem CID66397815
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[1-(2-ethylhexyl)pyrrol-2-yl]methanol
SMILESCCCCC(CC)Cn1cccc1CO
InChIInChI=1S/C13H23NO/c1-3-5-7-12(4-2)10-14-9-6-8-13(14)11-15/h6,8-9,12,15H,3-5,7,10-11H2,1-2H3
InChIKeyMOTKZBSJQJEVCZ-UHFFFAOYSA-N
XLogP3.20
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)-3-hydroxypyridin-2-one
CID 151678015
1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107017959
[1-(2,2-diethoxyethyl)pyrrol-2-yl]methanol
CID 114459603
1-(2-ethylhexyl)imidazole-2-carboxamide
CID 70128665
1-(2-ethylhexyl)-6-fluoroindole
CID 116619809
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
[3-(2-ethylhexyl)imidazol-4-yl]methanamine
CID 107818806
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
2-[1-(2-ethylhexyl)imidazol-2-yl]sulfanylacetic acid
CID 114004311
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
2-ethylhexan-1-ol;iron
CID 22477032
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylhexyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-(2-ethylhexyl)pyrrol-2-yl]methanol (CID 66397815) is [1-(2-ethylhexyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(2-ethylhexyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-(2-ethylhexyl)pyrrol-2-yl]methanol is CCCCC(CC)Cn1cccc1CO.
What is the InChIKey of [1-(2-ethylhexyl)pyrrol-2-yl]methanol?
The InChIKey is MOTKZBSJQJEVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-7-12(4-2)10-14-9-6-8-13(14)11-15/h6,8-9,12,15H,3-5,7,10-11H2,1-2H3.
What are the key properties of [1-(2-ethylhexyl)pyrrol-2-yl]methanol?
[1-(2-ethylhexyl)pyrrol-2-yl]methanol has a molecular weight of 209.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylhexyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 66397815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).