3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol

C13H17NO — CID 3068138

IUPAC3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol
SMILESCCN1CCC=C(c2cccc(O)c2)C1
InChIInChI=1S/C13H17NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5-7,9,15H,2,4,8,10H2,1H3
InChIKeyFGCLZQLCRQRTJG-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.50
Rot. Bonds2

About 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol

3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol (PubChem CID 3068138) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol.

Molecular Properties

Compound Name3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol
PubChem CID3068138
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol
SMILESCCN1CCC=C(c2cccc(O)c2)C1
InChIInChI=1S/C13H17NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5-7,9,15H,2,4,8,10H2,1H3
InChIKeyFGCLZQLCRQRTJG-UHFFFAOYSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol?
The IUPAC name of 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol (CID 3068138) is 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol.
What is the SMILES notation for 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol?
The canonical SMILES for 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol is CCN1CCC=C(c2cccc(O)c2)C1.
What is the InChIKey of 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol?
The InChIKey is FGCLZQLCRQRTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5-7,9,15H,2,4,8,10H2,1H3.
What are the key properties of 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol?
3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol has a molecular weight of 203.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol is sourced from PubChem (CID 3068138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).