2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol

C13H17NO2 — CID 613018

IUPAC2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol
SMILESCOc1cc(C2=CCN(C)CC2)ccc1O
InChIInChI=1S/C13H17NO2/c1-14-7-5-10(6-8-14)11-3-4-12(15)13(9-11)16-2/h3-5,9,15H,6-8H2,1-2H3
InChIKeyRSPLMRXJVVLAQG-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.12
Rot. Bonds2

About 2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol

2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol (PubChem CID 613018) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol
PubChem CID613018
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol
SMILESCOc1cc(C2=CCN(C)CC2)ccc1O
InChIInChI=1S/C13H17NO2/c1-14-7-5-10(6-8-14)11-3-4-12(15)13(9-11)16-2/h3-5,9,15H,6-8H2,1-2H3
InChIKeyRSPLMRXJVVLAQG-UHFFFAOYSA-N
XLogP2.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol?
The IUPAC name of 2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol (CID 613018) is 2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol?
The canonical SMILES for 2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol is COc1cc(C2=CCN(C)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol?
The InChIKey is RSPLMRXJVVLAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-7-5-10(6-8-14)11-3-4-12(15)13(9-11)16-2/h3-5,9,15H,6-8H2,1-2H3.
What are the key properties of 2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol?
2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol has a molecular weight of 219.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol is sourced from PubChem (CID 613018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).