3-(2,3,4,5-tetrahydropyridin-6-yl)phenol

C11H13NO — CID 127028304

IUPAC3-(2,3,4,5-tetrahydropyridin-6-yl)phenol
SMILESOc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C11H13NO/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11/h3-5,8,13H,1-2,6-7H2
InChIKeyHBTBOBQHKUZUGU-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.37
Rot. Bonds1

About 3-(2,3,4,5-tetrahydropyridin-6-yl)phenol

3-(2,3,4,5-tetrahydropyridin-6-yl)phenol (PubChem CID 127028304) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydropyridin-6-yl)phenol.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydropyridin-6-yl)phenol
PubChem CID127028304
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(2,3,4,5-tetrahydropyridin-6-yl)phenol
SMILESOc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C11H13NO/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11/h3-5,8,13H,1-2,6-7H2
InChIKeyHBTBOBQHKUZUGU-UHFFFAOYSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-yl)phenol?
The IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-yl)phenol (CID 127028304) is 3-(2,3,4,5-tetrahydropyridin-6-yl)phenol.
What is the SMILES notation for 3-(2,3,4,5-tetrahydropyridin-6-yl)phenol?
The canonical SMILES for 3-(2,3,4,5-tetrahydropyridin-6-yl)phenol is Oc1cccc(C2=NCCCC2)c1.
What is the InChIKey of 3-(2,3,4,5-tetrahydropyridin-6-yl)phenol?
The InChIKey is HBTBOBQHKUZUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11/h3-5,8,13H,1-2,6-7H2.
What are the key properties of 3-(2,3,4,5-tetrahydropyridin-6-yl)phenol?
3-(2,3,4,5-tetrahydropyridin-6-yl)phenol has a molecular weight of 175.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrahydropyridin-6-yl)phenol is sourced from PubChem (CID 127028304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).