1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone

C18H15NO2 — CID 43474275

IUPAC1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCc1ccncc1
InChIInChI=1S/C18H15NO2/c1-13(20)16-7-6-15-4-2-3-5-17(15)18(16)21-12-14-8-10-19-11-9-14/h2-11H,12H2,1H3
InChIKeyZXVPAJKZPYHXIR-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.02
Rot. Bonds4

About 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone

1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone (PubChem CID 43474275) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
PubChem CID43474275
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCc1ccncc1
InChIInChI=1S/C18H15NO2/c1-13(20)16-7-6-15-4-2-3-5-17(15)18(16)21-12-14-8-10-19-11-9-14/h2-11H,12H2,1H3
InChIKeyZXVPAJKZPYHXIR-UHFFFAOYSA-N
XLogP4.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
CID 143253149
1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone
CID 115979015
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanone
CID 43415539
1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone
CID 82866723
1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
CID 43388547
1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
CID 43388554
1-[1-(4-bromobutoxy)naphthalen-2-yl]ethanone
CID 43475231
1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
CID 62312338
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone
CID 43474269
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263
1-[1-(3-ethylsulfanylpropoxy)naphthalen-2-yl]ethanone
CID 115659124
1-[1-(3-bromo-2-methylpropoxy)naphthalen-2-yl]ethanone
CID 64995823

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone (CID 43474275) is 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone is CC(=O)c1ccc2ccccc2c1OCc1ccncc1.
What is the InChIKey of 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone?
The InChIKey is ZXVPAJKZPYHXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13(20)16-7-6-15-4-2-3-5-17(15)18(16)21-12-14-8-10-19-11-9-14/h2-11H,12H2,1H3.
What are the key properties of 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone?
1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone has a molecular weight of 277.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone is sourced from PubChem (CID 43474275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).