2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol

C20H23NO2 — CID 166373046

IUPAC2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol
SMILESCOCc1cccc(CN2CCC=C(c3ccccc3O)C2)c1
InChIInChI=1S/C20H23NO2/c1-23-15-17-7-4-6-16(12-17)13-21-11-5-8-18(14-21)19-9-2-3-10-20(19)22/h2-4,6-10,12,22H,5,11,13-15H2,1H3
InChIKeyFUCRSRNXZWTJOE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.83
Rot. Bonds5

About 2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol

2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol (PubChem CID 166373046) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol.

Molecular Properties

Compound Name2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol
PubChem CID166373046
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol
SMILESCOCc1cccc(CN2CCC=C(c3ccccc3O)C2)c1
InChIInChI=1S/C20H23NO2/c1-23-15-17-7-4-6-16(12-17)13-21-11-5-8-18(14-21)19-9-2-3-10-20(19)22/h2-4,6-10,12,22H,5,11,13-15H2,1H3
InChIKeyFUCRSRNXZWTJOE-UHFFFAOYSA-N
XLogP3.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-methoxy-1H-indole
CID 168941512
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)phenol;(E)-4-methoxy-4-oxobut-2-enoate
CID 20502636
1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 19095580
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
CID 114172704
3-ethyl-1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81457828
3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol
CID 3068138
1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-5,6-dimethoxyindol-1-yl]-3,3-dimethylpent-4-yn-1-one
CID 11059524
3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 128982995
1-[[3-(methoxymethyl)phenyl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383252
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)indole-1-carboxylic acid
CID 118111849

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol?
The IUPAC name of 2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol (CID 166373046) is 2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol.
What is the SMILES notation for 2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol?
The canonical SMILES for 2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol is COCc1cccc(CN2CCC=C(c3ccccc3O)C2)c1.
What is the InChIKey of 2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol?
The InChIKey is FUCRSRNXZWTJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-15-17-7-4-6-16(12-17)13-21-11-5-8-18(14-21)19-9-2-3-10-20(19)22/h2-4,6-10,12,22H,5,11,13-15H2,1H3.
What are the key properties of 2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol?
2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol has a molecular weight of 309.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(methoxymethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-5-yl]phenol is sourced from PubChem (CID 166373046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).